Geometry & MOs

Info

ID:

108892

PubChem CID:

50263820

Reduced:

F3O4N5C35H40 (1)

Stoich.:

A3B4C5D35E40 (1)

Weight, g/mol:

726.297739

ΔHf, kcal/mol:

-271.93

Dipole, Da:

7.47

IP(EA), eV:

 -8.97(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C)F

DOS

IR

Vibrations