Geometry & MOs

Info

ID:

108279

PubChem CID:

50239290

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-226.31

Dipole, Da:

13.23

IP(EA), eV:

 -8.78(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations