Geometry & MOs

Info

ID:	74004
PubChem CID:	48421337
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	9.47
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C#N)NC(=O)N2CCCC(C2)N3CCNC3=O)C

DOS

IR

Vibrations