Geometry & MOs

Info

ID:

112464

PubChem CID:

50408042

Reduced:

N3O3C17H23 (2)

Stoich.:

A3B3C17D23 (2)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-240.39

Dipole, Da:

7.15

IP(EA), eV:

 -8.8(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)-4-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC

DOS

IR

Vibrations