Geometry & MOs

Info

ID:

111640

PubChem CID:

50376246

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-281.48

Dipole, Da:

5.87

IP(EA), eV:

 -8.76(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations