Geometry & MOs

Info

ID:	443238
PubChem CID:	135258254
Reduced:	BrN4O4C11H13 (1)
Stoich.:	AB4C4D11E13 (1)
Weight, g/mol:	493.174353
ΔH_f, kcal/mol:	-126.15
Dipole, Da:	4.39
IP(EA), eV:	-9.11(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate

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

C1=C(N(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Br

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

C1=C(N(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):