Geometry & MOs

Info

ID:

112218

PubChem CID:

50398795

Reduced:

FO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-267.84

Dipole, Da:

5.38

IP(EA), eV:

 -8.76(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N(CC)CC

DOS

IR

Vibrations