Geometry & MOs

Info

ID:	373674
PubChem CID:	131318599
Reduced:	SO4H8C11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	2.21
IP(EA), eV:	-8.9(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-6-chloro-1-benzothiophene-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(S1)C=CC(=C2)C=O)O

DOS

IR

Vibrations