Geometry & MOs

Info

ID:

107406

PubChem CID:

50201737

Reduced:

ClFO5N6C39H44 (1)

Stoich.:

ABC5D6E39F44 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-223.21

Dipole, Da:

13.16

IP(EA), eV:

 -8.8(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-methylphenyl)-1-[1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N6CCCC6

DOS

IR

Vibrations