Geometry & MOs

Info

ID:	373486
PubChem CID:	131316003
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	306.91142
ΔH_f, kcal/mol:	-60.31
Dipole, Da:	5.79
IP(EA), eV:	-9.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-5-(difluoromethyl)-4-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C=O)C(=O)N(C)C

DOS

IR

Vibrations