Geometry & MOs

Info

ID:

112335

PubChem CID:

50403167

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

683.267461

ΔHf, kcal/mol:

-150.28

Dipole, Da:

5.32

IP(EA), eV:

 -8.99(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-[(2-methylphenyl)carbamoyl]phenyl]-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)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations