Geometry & MOs

Info

ID:	137267
PubChem CID:	52180577
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	406.076947
ΔH_f, kcal/mol:	-20.63
Dipole, Da:	1.36
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(=O)NC1=CC=CC=C1)[C@@H](C)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations