Geometry & MOs

Info

ID:	132726
PubChem CID:	51407327
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	333.127289
ΔH_f, kcal/mol:	-172.24
Dipole, Da:	2.82
IP(EA), eV:	-9.26(0.0)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,4R)-1,7,7-trimethyl-3-[(4-methylphenyl)sulfonyldiazenyl]bicyclo[2.2.1]hept-2-en-2-olate

Drug info:

PubChemData

Smile

CCCC(=C1C(=O)CC([C@@H](C1=O)C(=O)OC)(C)C)NCC=C

DOS

IR

Vibrations