Geometry & MOs

Info

ID:

161989

PubChem CID:

57393252

Reduced:

O2F6N8H26C29 (1)

Stoich.:

A2B6C8D26E29 (1)

Weight, g/mol:

636.183219

ΔHf, kcal/mol:

-229.37

Dipole, Da:

9.06

IP(EA), eV:

 -8.66(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]imino-3-methyl-4-propoxy-6-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CCCOC1=CC(=CC2=C1N(C(=NC3=CC(=C(C=C3)C)C(F)(F)F)N2CC4=CC=C(C=C4)C(=O)NC5=NNN=N5)C)C(F)(F)F

DOS

IR

Vibrations