Geometry & MOs

Info

ID:	201823
PubChem CID:	79588760
Reduced:	SN2O2C14H24 (1)
Stoich.:	AB2C2D14E24 (1)
Weight, g/mol:	285.049336
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	5.98
IP(EA), eV:	-9.05(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CCCN(C(C)C)S(=O)(=O)C1=C(C=C(C=C1C)N)C

DOS

IR

Vibrations