Geometry & MOs

Info

ID:

93653

PubChem CID:

49995899

Reduced:

N3O3C21H29 (2)

Stoich.:

A3B3C21D29 (2)

Weight, g/mol:

758.396725

ΔHf, kcal/mol:

-263.45

Dipole, Da:

5.69

IP(EA), eV:

 -8.4(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6C)C

DOS

IR

Vibrations