Geometry & MOs

Info

ID:

108598

PubChem CID:

50251359

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

648.287175

ΔHf, kcal/mol:

-183.21

Dipole, Da:

12.21

IP(EA), eV:

 -8.78(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations