Geometry & MOs

Info

ID:

321407

PubChem CID:

126665964

Reduced:

O3N5F6C35H35 (1)

Stoich.:

A3B5C6D35E35 (1)

Weight, g/mol:

593.170845

ΔHf, kcal/mol:

-341.07

Dipole, Da:

5.86

IP(EA), eV:

 -9.47(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-(2-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(C4=CC(=CC=C4)C(F)(F)F)NCC5CC5

DOS

IR

Vibrations