Geometry & MOs

Info

ID:

112647

PubChem CID:

50414286

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-268.94

Dipole, Da:

7.96

IP(EA), eV:

 -8.8(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations