Geometry & MOs

Info

ID:

186884

PubChem CID:

77501108

Reduced:

OF3N5C32H36 (1)

Stoich.:

AB3C5D32E36 (1)

Weight, g/mol:

606.225403

ΔHf, kcal/mol:

-116.86

Dipole, Da:

5.55

IP(EA), eV:

 -8.21(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-[1-[[1-cyano-2-(4-cyano-2-fluorophenyl)ethyl]carbamoyl-(2-methylpropyl)amino]-2,2,2-trifluoroethyl]phenyl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(=O)NC(CC1=CC=CC=C1)C#N)CNC(C2=CC=C(C=C2)C3=CC=C(C=C3)N4CCNCC4)C(F)(F)F

DOS

IR

Vibrations