Geometry & MOs

Info

ID:

113871

PubChem CID:

50462277

Reduced:

FN2O2C14H15 (3)

Stoich.:

AB2C2D14E15 (3)

Weight, g/mol:

722.298346

ΔHf, kcal/mol:

-326.61

Dipole, Da:

5.85

IP(EA), eV:

 -8.45(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4F)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations