Geometry & MOs

Info

ID:	344211
PubChem CID:	127267387
Reduced:	ClNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	363.069592
ΔH_f, kcal/mol:	-113.18
Dipole, Da:	5.99
IP(EA), eV:	-9.25(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations