Geometry & MOs

Info

ID:

92972

PubChem CID:

49990837

Reduced:

O5N6C41H56 (1)

Stoich.:

A5B6C41D56 (1)

Weight, g/mol:

754.421797

ΔHf, kcal/mol:

-237.38

Dipole, Da:

11.65

IP(EA), eV:

 -8.75(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations