Geometry & MOs

Info

ID:	236583
PubChem CID:	92714082
Reduced:	OS2N3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	380.094312
ΔH_f, kcal/mol:	59.03
Dipole, Da:	2.85
IP(EA), eV:	-8.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4

DOS

IR

Vibrations