Geometry & MOs

Info

ID:

112503

PubChem CID:

50409472

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-232.26

Dipole, Da:

5.16

IP(EA), eV:

 -8.89(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations