Geometry & MOs

Info

ID:

96760

PubChem CID:

50024332

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-231.69

Dipole, Da:

11.78

IP(EA), eV:

 -8.6(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations