Geometry & MOs

Info

ID:	132207
PubChem CID:	51320195
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	388.0245
ΔH_f, kcal/mol:	-135.75
Dipole, Da:	8.84
IP(EA), eV:	-8.82(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-quinolin-8-ylacetamide

Drug info:

PubChemData

Smile

CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3C

DOS

IR

Vibrations