Geometry & MOs

Info

ID:	433862
PubChem CID:	135174005
Reduced:	ClNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	1563.60727
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	5.27
IP(EA), eV:	-9.01(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[[2-[[5-[[9-[(2R)-2-[[[2-[(2,6-dimethylphenyl)methoxy]ethylamino]-phenoxyphosphoryl]methoxy]propyl]purin-6-yl]amino]naphthalen-1-yl]methoxy]ethylamino]-[4-[[9-[(2R)-2-[[phenoxy-[2-(pyridin-4-ylmethoxy)ethylamino]phosphoryl]methoxy]propyl]purin-6-yl]amino]phenoxy]phosphoryl]methoxy]propyl]purin-6-amine

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H]([C@]12[C@H](C(=CS1=O)CCCl)N(C2=O)C)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H]([C@]12[C@H](C(=CS1=O)CCCl)N(C2=O)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):