Geometry & MOs

Info

ID:	37961
PubChem CID:	8025921
Reduced:	NO3C21H32 (1)
Stoich.:	AB3C21D32 (1)
Weight, g/mol:	361.088498
ΔH_f, kcal/mol:	-109.86
Dipole, Da:	2.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754966
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1COC[C@@H](C[NH2+]C23CC4CC(C2)CC(C4)C3)O

DOS

IR

Vibrations