Geometry & MOs

Info

ID:	402173
PubChem CID:	135054713
Reduced:	NSO2C25H27 (1)
Stoich.:	ABC2D25E27 (1)
Weight, g/mol:	316.131074
ΔH_f, kcal/mol:	-10.66
Dipole, Da:	5.52
IP(EA), eV:	-9.3(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-5,6-dimethyl-3-naphthalen-2-yl-1,4-dioxan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/CCC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations