Geometry & MOs

Info

ID:

108789

PubChem CID:

50259155

Reduced:

O5N6C40H44 (1)

Stoich.:

A5B6C40D44 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-156.46

Dipole, Da:

12.07

IP(EA), eV:

 -8.5(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorophenyl)methylcarbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C)C

DOS

IR

Vibrations