Geometry & MOs

Info

ID:	311595
PubChem CID:	126595417
Reduced:	O7C23H26 (1)
Stoich.:	A7B23C26 (1)
Weight, g/mol:	681.091306
ΔH_f, kcal/mol:	-244.97
Dipole, Da:	3.57
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(2R,3R,4R,5R)-3-[[(2R,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-4,4-difluoro-3-hydroxy-3-methyloxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-fluoro-5-(hydroxymethyl)thiolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

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

C=CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC4=C(C=C3)OCCO4

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

C=CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):