Geometry & MOs

Info

ID:

106661

PubChem CID:

50172074

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

623.323833

ΔHf, kcal/mol:

-227.81

Dipole, Da:

6.7

IP(EA), eV:

 -8.41(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(2-methylbutanoylamino)phenyl]-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations