Geometry & MOs

Info

ID:

97646

PubChem CID:

50033375

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-183.65

Dipole, Da:

12.1

IP(EA), eV:

 -8.58(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclohexanecarbonylamino)-3-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C)C

DOS

IR

Vibrations