Geometry & MOs

Info

ID:

117235

PubChem CID:

50595715

Reduced:

ClN5O5C35H40 (1)

Stoich.:

AB5C5D35E40 (1)

Weight, g/mol:

663.262375

ΔHf, kcal/mol:

-164.15

Dipole, Da:

3.32

IP(EA), eV:

 -8.24(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations