Geometry & MOs

Info

ID:

111880

PubChem CID:

50385261

Reduced:

ClN6O7C34H43 (1)

Stoich.:

AB6C7D34E43 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-272.53

Dipole, Da:

5.24

IP(EA), eV:

 -8.88(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4)C(=O)N5CCOCC5

DOS

IR

Vibrations