Geometry & MOs

Info

ID:	236582
PubChem CID:	92714081
Reduced:	ClOSN3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	367.081305
ΔH_f, kcal/mol:	42.78
Dipole, Da:	3.57
IP(EA), eV:	-8.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(3-methylsulfanylanilino)-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