Geometry & MOs

Info

ID:	375169
PubChem CID:	131472747
Reduced:	BrNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	300.94083
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	6.97
IP(EA), eV:	-9.05(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-7-methoxy-6-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)[N+](=O)[O-])C=C(S2)CBr

DOS

IR

Vibrations