Geometry & MOs

Info

ID:

108929

PubChem CID:

50265319

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-275.43

Dipole, Da:

6.7

IP(EA), eV:

 -9.04(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC5CCCC5

DOS

IR

Vibrations