Geometry & MOs

Info

ID:

114119

PubChem CID:

50472504

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

683.267461

ΔHf, kcal/mol:

-143.88

Dipole, Da:

10.97

IP(EA), eV:

 -8.59(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5)C)F

DOS

IR

Vibrations