Geometry & MOs

Info

ID:

114694

PubChem CID:

50493086

Reduced:

F2O4N5H35C36 (1)

Stoich.:

A2B4C5D35E36 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-178.62

Dipole, Da:

10.57

IP(EA), eV:

 -8.93(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[2-methyl-5-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)F)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations