Geometry & MOs

Info

ID:

104207

PubChem CID:

50096654

Reduced:

N5O6C35H43 (1)

Stoich.:

A5B6C35D43 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-210.06

Dipole, Da:

5.9

IP(EA), eV:

 -8.32(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations