Geometry & MOs

Info

ID:	347723
PubChem CID:	127272785
Reduced:	SN3O4C16H29 (1)
Stoich.:	AB3C4D16E29 (1)
Weight, g/mol:	399.219178
ΔH_f, kcal/mol:	-201.81
Dipole, Da:	6.01
IP(EA), eV:	-9.19(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1CCS(=O)(=O)C1)CC(=O)N2CCCCC2C

DOS

IR

Vibrations