Geometry & MOs

Info

ID:

97688

PubChem CID:

50033939

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

754.304574

ΔHf, kcal/mol:

-264.89

Dipole, Da:

4.16

IP(EA), eV:

 -8.96(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC(=C2NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C)C

DOS

IR

Vibrations