Geometry & MOs

Info

ID:

321285

PubChem CID:

126665668

Reduced:

FSO5N7C40H46 (1)

Stoich.:

ABC5D7E40F46 (1)

Weight, g/mol:

594.166094

ΔHf, kcal/mol:

-120.19

Dipole, Da:

3.63

IP(EA), eV:

 -8.48(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C#N)C(=O)NC3=C(C=CC(=C3)C(CCC4CC4)(C5=CC=C(C=C5)C(=O)N)N[S@](=O)C(C)(C)C)F

DOS

IR

Vibrations