Geometry & MOs

Info

ID:

99440

PubChem CID:

50050765

Reduced:

FN5O5C39H42 (1)

Stoich.:

AB5C5D39E42 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-186.69

Dipole, Da:

13.23

IP(EA), eV:

 -8.44(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(cyclohexylcarbamoyl)-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C

DOS

IR

Vibrations