Geometry & MOs

Info

ID:

105465

PubChem CID:

50110972

Reduced:

FN6O6C35H39 (1)

Stoich.:

AB6C6D35E39 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-234.35

Dipole, Da:

6.75

IP(EA), eV:

 -8.98(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)N5CCOCC5

DOS

IR

Vibrations