Geometry & MOs

Info

ID:	374926
PubChem CID:	131407120
Reduced:	ClNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	284.94591
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	5.35
IP(EA), eV:	-9.09(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-7-bromo-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CC(=C2S1)[N+](=O)[O-])CCl

DOS

IR

Vibrations