Geometry & MOs

Info

ID:

110098

PubChem CID:

50309585

Reduced:

FO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-205.69

Dipole, Da:

3.01

IP(EA), eV:

 -8.84(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4F)C(=O)N

DOS

IR

Vibrations