Geometry & MOs

Info

ID:	375172
PubChem CID:	131472753
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	2.62
Dipole, Da:	5.55
IP(EA), eV:	-9.07(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-methoxy-5-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=CS2)Br)[N+](=O)[O-]

DOS

IR

Vibrations