Geometry & MOs

Info

ID:

119605

PubChem CID:

50692792

Reduced:

ClN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-210.29

Dipole, Da:

2.74

IP(EA), eV:

 -9.2(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)C

DOS

IR

Vibrations