Geometry & MOs

Info

ID:

110504

PubChem CID:

50327940

Reduced:

FN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-253.29

Dipole, Da:

8.7

IP(EA), eV:

 -8.68(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)OC)C(=O)N5CCCCC5

DOS

IR

Vibrations