Geometry & MOs

Info

ID:

103878

PubChem CID:

50080720

Reduced:

O4N5C35H43 (1)

Stoich.:

A4B5C35D43 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-146.93

Dipole, Da:

8.29

IP(EA), eV:

 -8.66(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations