Geometry & MOs

Info

ID:	336354
PubChem CID:	127255361
Reduced:	N2O4C19H34 (1)
Stoich.:	A2B4C19D34 (1)
Weight, g/mol:	663.109123
ΔH_f, kcal/mol:	-180.16
Dipole, Da:	7.08
IP(EA), eV:	-9.7(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

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

CC(C)(C)[C@@H](C(=O)O)NC(=O)O[C@@H]1C[C@H]1CCCC#C.CC(C)(C)N

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)[C@@H](C(=O)O)NC(=O)O[C@@H]1C[C@H]1CCCC#C.CC(C)(C)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):