Geometry & MOs

Info

ID:

113809

PubChem CID:

50459102

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

635.290783

ΔHf, kcal/mol:

-274.09

Dipole, Da:

10.39

IP(EA), eV:

 -9.04(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCCC4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations