Geometry & MOs

Info

ID:	222382
PubChem CID:	85297312
Reduced:	NPO8C18H26 (1)
Stoich.:	ABC8D18E26 (1)
Weight, g/mol:	416.165745
ΔH_f, kcal/mol:	-375.67
Dipole, Da:	3.0
IP(EA), eV:	-9.29(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)sulfinylbut-3-enyl]-2-methyl-1,3-dioxolane

Drug info:

PubChemData

Smile

CC(=O)NC1COC(CC1OCC2=CC=CC=C2)(C(=O)OC)P(=O)(OC)OC

DOS

IR

Vibrations