Geometry & MOs

Info

ID:

114019

PubChem CID:

50468067

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-154.67

Dipole, Da:

6.25

IP(EA), eV:

 -8.73(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)C)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations