Geometry & MOs

Info

ID:

112350

PubChem CID:

50403536

Reduced:

F2N5O5C33H37 (1)

Stoich.:

A2B5C5D33E37 (1)

Weight, g/mol:

598.290368

ΔHf, kcal/mol:

-252.05

Dipole, Da:

3.26

IP(EA), eV:

 -8.83(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)OC)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations