Geometry & MOs

Info

ID:

109240

PubChem CID:

50277843

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-233.5

Dipole, Da:

14.34

IP(EA), eV:

 -8.95(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)F)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations