Geometry & MOs

Info

ID:	217971
PubChem CID:	85088673
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-123.29
Dipole, Da:	10.52
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxynaphthalen-2-yl)-2-(4-methyl-4-nitrososulfanylpiperidin-1-yl)pentanoic acid

Drug info:

PubChemData

Smile

CC1C2CCC(=C)C3CC(C(=C3C2OC1=O)C)NNS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations