Geometry & MOs

Info

ID:

109940

PubChem CID:

50302513

Reduced:

N3O3C15H19 (2)

Stoich.:

A3B3C15D19 (2)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-224.11

Dipole, Da:

10.43

IP(EA), eV:

 -8.83(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC)OC)C(=O)N

DOS

IR

Vibrations