Geometry & MOs

Info

ID:	301890
PubChem CID:	123099361
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-152.68
Dipole, Da:	7.71
IP(EA), eV:	-7.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CS(=O)CC(=O)N2CCCC3=CC=CC=C32)OC

DOS

IR

Vibrations