Geometry & MOs

Info

ID:

321261

PubChem CID:

126665625

Reduced:

F3O3N5H30C32 (1)

Stoich.:

A3B3C5D30E32 (1)

Weight, g/mol:

593.170845

ΔHf, kcal/mol:

-167.91

Dipole, Da:

7.82

IP(EA), eV:

 -9.35(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[[cyclopropyl(methyl)amino]-(4-methylsulfonylphenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(CC#N)C4=CC=CC=C4

DOS

IR

Vibrations