Geometry & MOs

Info

ID:	216573
PubChem CID:	85086441
Reduced:	SO3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	284.167083
ΔH_f, kcal/mol:	-123.06
Dipole, Da:	2.74
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hexoxy-4-(3-methyl-2,4-dihydropyrimidin-5-ylidene)-1,2,5-thiadiazolidine

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)OC)SCC1=CCC2CC1C2(C)C

DOS

IR

Vibrations