Geometry & MOs

Info

ID:

115455

PubChem CID:

50523410

Reduced:

ClN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-180.82

Dipole, Da:

9.04

IP(EA), eV:

 -8.73(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(2-fluorobenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations