Geometry & MOs

Info

ID:

112669

PubChem CID:

50415227

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-210.27

Dipole, Da:

5.19

IP(EA), eV:

 -8.89(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)C)C

DOS

IR

Vibrations