Geometry & MOs

Info

ID:

112684

PubChem CID:

50416395

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-153.17

Dipole, Da:

8.45

IP(EA), eV:

 -8.51(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC4=CC=C(C=C4)F)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations