Geometry & MOs

Info

ID:

108500

PubChem CID:

50247788

Reduced:

FN5O5C38H40 (1)

Stoich.:

AB5C5D38E40 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-183.62

Dipole, Da:

10.32

IP(EA), eV:

 -8.51(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=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

DOS

IR

Vibrations