Geometry & MOs

Info

ID:	374328
PubChem CID:	131326844
Reduced:	BrNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	300.94083
ΔH_f, kcal/mol:	-9.95
Dipole, Da:	4.77
IP(EA), eV:	-9.4(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(bromomethyl)-5-nitro-1-benzothiophen-3-yl]methanol

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1[N+](=O)[O-])C(=CS2)CO)CBr

DOS

IR

Vibrations