Geometry & MOs

Info

ID:	349019
PubChem CID:	127274745
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	337.134779
ΔH_f, kcal/mol:	-155.9
Dipole, Da:	2.6
IP(EA), eV:	-8.48(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC2=CC3=C(C=C2)OC(O3)(C)C

DOS

IR

Vibrations