Geometry & MOs

Info

ID:	236579
PubChem CID:	92714071
Reduced:	SO3N4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	369.070261
ΔH_f, kcal/mol:	43.24
Dipole, Da:	4.79
IP(EA), eV:	-8.91(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(3-chloro-2-methylanilino)-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