Geometry & MOs

Info

ID:	19718
PubChem CID:	571254
Reduced:	INSO2H16C17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	424.99465
ΔH_f, kcal/mol:	-33.36
Dipole, Da:	1.4
IP(EA), eV:	-8.54(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-iodoacetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)CI)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations