Geometry & MOs

Info

ID:	374503
PubChem CID:	131330580
Reduced:	ClNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	1.09
IP(EA), eV:	-8.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-7-(chloromethyl)-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C2C(=C1)C(=CS2)N)CCl

DOS

IR

Vibrations