Geometry & MOs

Info

ID:

186885

PubChem CID:

77501123

Reduced:

O3F4N4H30C33 (1)

Stoich.:

A3B4C4D30E33 (1)

Weight, g/mol:

606.225403

ΔHf, kcal/mol:

-204.42

Dipole, Da:

3.71

IP(EA), eV:

 -9.88(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C(C1=CC=C(C=C1)C2=CC=C(C=C2)C3(CC3)C(=O)O)C(F)(F)F)C(=O)NC(CC4=C(C=C(C=C4)C#N)F)C#N

DOS

IR

Vibrations