Geometry & MOs

Info

ID:

111009

PubChem CID:

50348478

Reduced:

F3O4N5C28H34 (1)

Stoich.:

A3B4C5D28E34 (1)

Weight, g/mol:

738.410483

ΔHf, kcal/mol:

-280.33

Dipole, Da:

7.74

IP(EA), eV:

 -9.05(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F)C

DOS

IR

Vibrations