Geometry & MOs

Info

ID:	236581
PubChem CID:	92714080
Reduced:	ClOSN3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	369.070261
ΔH_f, kcal/mol:	41.73
Dipole, Da:	2.87
IP(EA), eV:	-8.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-chloro-4-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)Cl

DOS

IR

Vibrations