Geometry & MOs

Info

ID:	158113
PubChem CID:	56463001
Reduced:	N2F3O3H13C18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	402.096203
ΔH_f, kcal/mol:	-139.41
Dipole, Da:	10.94
IP(EA), eV:	-9.33(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-(difluoromethyl)-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)[N+](=O)[O-])C(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F

DOS

IR

Vibrations