Geometry & MOs

Info

ID:

108107

PubChem CID:

50229819

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-215.69

Dipole, Da:

9.54

IP(EA), eV:

 -9.15(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations