Geometry & MOs

Info

ID:

113232

PubChem CID:

50436647

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

621.275133

ΔHf, kcal/mol:

-277.61

Dipole, Da:

6.79

IP(EA), eV:

 -8.49(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations