Geometry & MOs

Info

ID:

427776

PubChem CID:

135162482

Reduced:

O2F3N4C21H23 (1)

Stoich.:

A2B3C4D21E23 (1)

Weight, g/mol:

615.223944

ΔHf, kcal/mol:

-175.36

Dipole, Da:

8.11

IP(EA), eV:

 -8.51(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(Z)-amino-[4-[[4-(cyanomethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]-2-oxopyridin-3-ylidene]methyl]amino]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1C[C@H](COC1)NC\2=CC=NC(=O)/C2=C(/N)\NC3=CC=C(C=C3)C4(CC4)C(F)(F)F

DOS

IR

Vibrations