Geometry & MOs

Info

ID:	374327
PubChem CID:	131326842
Reduced:	BrNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	300.94083
ΔH_f, kcal/mol:	-18.01
Dipole, Da:	3.9
IP(EA), eV:	-9.36(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(bromomethyl)-4-nitro-1-benzothiophen-3-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)CO)[N+](=O)[O-])CBr

DOS

IR

Vibrations