Geometry & MOs

Info

ID:

110042

PubChem CID:

50306684

Reduced:

O5N6C32H36 (1)

Stoich.:

A5B6C32D36 (1)

Weight, g/mol:

602.265296

ΔHf, kcal/mol:

-153.71

Dipole, Da:

2.31

IP(EA), eV:

 -8.38(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations