Geometry & MOs

Info

ID:	236578
PubChem CID:	92714070
Reduced:	SO3N4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	380.094312
ΔH_f, kcal/mol:	43.13
Dipole, Da:	7.19
IP(EA), eV:	-8.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(4-methyl-2-nitroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4)[N+](=O)[O-]

DOS

IR

Vibrations