Geometry & MOs

Info

ID:	374981
PubChem CID:	131408482
Reduced:	OSN3C9H17 (1)
Stoich.:	ABC3D9E17 (1)
Weight, g/mol:	244.011805
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	3.56
IP(EA), eV:	-8.84(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-6-nitro-1-benzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1CC(NC(=O)N1)C2CSCCN2

DOS

IR

Vibrations