Geometry & MOs

Info

ID:	136073
PubChem CID:	51974863
Reduced:	SN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	361.118832
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	3.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.090598
Charge, e:	-1

Chem-info

IUPAC name:

(7S)-7-(2-methoxyphenyl)-5-oxo-1-phenyl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=N3

DOS

IR

Vibrations