Geometry & MOs

Info

ID:

111198

PubChem CID:

50356831

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-188.78

Dipole, Da:

4.69

IP(EA), eV:

 -8.68(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(3-fluorobenzoyl)amino]-3-methoxyanilino]-3-oxopropyl]-1-[2-[2-methyl-3-(piperidine-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)N3CCCC3C(=O)NC4=C(C=CC=C4C(=O)NC5=CC=CC=C5C)C)C

DOS

IR

Vibrations