Geometry & MOs

Info

ID:	301895
PubChem CID:	123099459
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	455.133734
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	6.78
IP(EA), eV:	-8.75(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfinylacetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CS(=O)CC(=O)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations