Geometry & MOs

Info

ID:	357202
PubChem CID:	127293706
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-83.35
Dipole, Da:	3.51
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations