Geometry & MOs

Info

ID:

111773

PubChem CID:

50380876

Reduced:

N3O3C20H28 (2)

Stoich.:

A3B3C20D28 (2)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-271.16

Dipole, Da:

8.32

IP(EA), eV:

 -8.68(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)OC)C(=O)NC5CCCC5

DOS

IR

Vibrations