Geometry & MOs

Info

ID:	177798
PubChem CID:	76231563
Reduced:	ON5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	480.16787
ΔH_f, kcal/mol:	108.9
Dipole, Da:	1.26
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-6-morpholin-4-ylsulfonyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

DOS

IR

Vibrations