Geometry & MOs

Info

ID:	236574
PubChem CID:	92714061
Reduced:	ClOSN3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	369.070261
ΔH_f, kcal/mol:	50.12
Dipole, Da:	2.53
IP(EA), eV:	-8.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-chloro-2-methylanilino)-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