Geometry & MOs

Info

ID:	373989
PubChem CID:	131322076
Reduced:	ClNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	5.97
IP(EA), eV:	-8.81(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-(chloromethyl)-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1N)CCl)C(=O)O

DOS

IR

Vibrations