Geometry & MOs

Info

ID:

432107

PubChem CID:

135172239

Reduced:

SF3O3N4C26H29 (1)

Stoich.:

AB3C3D4E26F29 (1)

Weight, g/mol:

534.227632

ΔHf, kcal/mol:

-210.41

Dipole, Da:

6.05

IP(EA), eV:

 -8.92(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(Z)-[2,2,2-trifluoro-1-(methylideneamino)ethylidene]amino]sulfanylmethylamino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)O)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations