Geometry & MOs

Info

ID:	236573
PubChem CID:	92714060
Reduced:	ClOSN3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	355.054611
ΔH_f, kcal/mol:	50.09
Dipole, Da:	3.48
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations