Geometry & MOs

Info

ID:

108226

PubChem CID:

50236217

Reduced:

ClF2N5O5C35H38 (1)

Stoich.:

AB2C5D5E35F38 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-252.01

Dipole, Da:

5.18

IP(EA), eV:

 -9.02(-0.6)

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-[3-[2-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)OC

DOS

IR

Vibrations