Geometry & MOs

Info

ID:

103907

PubChem CID:

50080876

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-192.76

Dipole, Da:

6.65

IP(EA), eV:

 -8.51(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-benzamidoanilino)-3-oxopropyl]-1-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C)F

DOS

IR

Vibrations