Geometry & MOs

Info

ID:	301892
PubChem CID:	123099365
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	434.02998
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	7.05
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CS(=O)CC(=O)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations