Geometry & MOs

Info

ID:

111942

PubChem CID:

50387735

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-231.84

Dipole, Da:

7.84

IP(EA), eV:

 -8.65(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C(C)C)C(=O)NC4CCCCC4

DOS

IR

Vibrations