Geometry & MOs

Info

ID:	308326
PubChem CID:	125326170
Reduced:	O2N3C5H9 (2)
Stoich.:	A2B3C5D9 (2)
Weight, g/mol:	405.143704
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	4.02
IP(EA), eV:	-9.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(4-carbamoylphenyl)-5-methyl-2,4-dioxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1([C@](O[C@@H]([C@H](O1)CN=[N+]=[N-])CN=[N+]=[N-])(C)OC)OC

DOS

IR

Vibrations