Geometry & MOs

Info

ID:

186746

PubChem CID:

77478140

Reduced:

ClN4O6C38H53 (1)

Stoich.:

AB4C6D38E53 (1)

Weight, g/mol:

690.293261

ΔHf, kcal/mol:

-226.39

Dipole, Da:

6.93

IP(EA), eV:

 -9.23(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-(1-cyclopropyl-4-hydrazinyl-3,4-dioxobutan-2-yl)-7-[3,3-dimethyl-2-[(2-phenylcyclopropanecarbonyl)amino]butanoyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(=O)CC1CCCCCCC1)C(=O)N2CC3(CC2C(=O)NC(CC4CC4)C(=O)C(=O)NC)CC(=NO3)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations