Geometry & MOs

Info

ID:

96390

PubChem CID:

50020525

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-230.89

Dipole, Da:

6.14

IP(EA), eV:

 -9.08(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations