Geometry & MOs

Info

ID:

113123

PubChem CID:

50431425

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-231.81

Dipole, Da:

10.43

IP(EA), eV:

 -8.89(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-acetamido-3-chloroanilino)-3-oxopropyl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations