Geometry & MOs

Info

ID:

99065

PubChem CID:

50048004

Reduced:

FSO4N5C35H42 (1)

Stoich.:

ABC4D5E35F42 (1)

Weight, g/mol:

649.283111

ΔHf, kcal/mol:

-185.55

Dipole, Da:

5.32

IP(EA), eV:

 -8.4(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations