Geometry & MOs

Info

ID:

112547

PubChem CID:

50411187

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-256.05

Dipole, Da:

12.14

IP(EA), eV:

 -9.04(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations