Geometry & MOs

Info

ID:	308427
PubChem CID:	125327833
Reduced:	S2O3N4C16H16 (1)
Stoich.:	A2B3C4D16E16 (1)
Weight, g/mol:	376.066383
ΔH_f, kcal/mol:	-37.87
Dipole, Da:	3.14
IP(EA), eV:	-9.28(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-oxo-N-[(2R)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,5-dihydro-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(=N[C@@H](S1)NC(=O)[C@@H]2C=CC=NC2=O)CC(=O)NCC3=CC=CS3

DOS

IR

Vibrations