Geometry & MOs

Info

ID:	373675
PubChem CID:	131318613
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-64.22
Dipole, Da:	2.33
IP(EA), eV:	-8.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-2-chloro-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(SC2=CC(=C1)Cl)N

DOS

IR

Vibrations