Geometry & MOs

Info

ID:

114033

PubChem CID:

50468684

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

708.399919

ΔHf, kcal/mol:

-264.47

Dipole, Da:

3.09

IP(EA), eV:

 -9.06(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(phenylcarbamoyl)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=CC(=C(C=C3)Cl)C(=O)N4CCCCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations