Geometry & MOs

Info

ID:	372901
PubChem CID:	131306745
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	363.85913
ΔH_f, kcal/mol:	-46.34
Dipole, Da:	7.86
IP(EA), eV:	-9.29(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-6-(bromomethyl)-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C=CC=CC)C(=O)O

DOS

IR

Vibrations