Geometry & MOs

Info

ID:

326940

PubChem CID:

126688736

Reduced:

S2N8O8C43H60 (1)

Stoich.:

A2B8C8D43E60 (1)

Weight, g/mol:

503.156909

ΔHf, kcal/mol:

-360.57

Dipole, Da:

3.99

IP(EA), eV:

 -8.69(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-cyclopropyl-5-[hydroxy(pyridin-3-yl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C(=O)N2[C@@H](O1)CC(C2C(=O)NC3=CC=CC=C3SSC4=CC=CC=C4NC(=O)C5C(C[C@H]6N5C(=O)[C@H](CCO6)NC(=O)[C@H](C)NC)(C)C)(C)C)NC(=O)[C@H](C)NC

DOS

IR

Vibrations