Geometry & MOs

Info

ID:	344210
PubChem CID:	127267386
Reduced:	ClNSO3H18C22 (1)
Stoich.:	ABCD3E18F22 (1)
Weight, g/mol:	363.069592
ΔH_f, kcal/mol:	-72.84
Dipole, Da:	5.44
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorobenzoyl)amino]-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C(=O)O)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations