Geometry & MOs

Info

ID:

113094

PubChem CID:

50431162

Reduced:

ClFO5N6C40H46 (1)

Stoich.:

ABC5D6E40F46 (1)

Weight, g/mol:

758.335875

ΔHf, kcal/mol:

-223.01

Dipole, Da:

6.53

IP(EA), eV:

 -8.97(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCCCC5)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations