Geometry & MOs

Info

ID:	21150
PubChem CID:	587345
Reduced:	ClNSO4H16C18 (1)
Stoich.:	ABCD4E16F18 (1)
Weight, g/mol:	377.048857
ΔH_f, kcal/mol:	-131.75
Dipole, Da:	7.56
IP(EA), eV:	-8.95(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-chlorobenzoyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)C(=O)CCC2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations