Geometry & MOs

Info

ID:	360597
PubChem CID:	127301242
Reduced:	SN2O3C17H30 (1)
Stoich.:	AB2C3D17E30 (1)
Weight, g/mol:	354.197714
ΔH_f, kcal/mol:	-144.65
Dipole, Da:	3.8
IP(EA), eV:	-9.35(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]ethanone

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CN(C2CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations