Geometry & MOs

Info

ID:	418376
PubChem CID:	135104397
Reduced:	SN2O6C17H26 (1)
Stoich.:	AB2C6D17E26 (1)
Weight, g/mol:	270.060903
ΔH_f, kcal/mol:	-226.83
Dipole, Da:	2.83
IP(EA), eV:	-8.64(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[ethyl(methyl)amino]methyl]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)OC

DOS

IR

Vibrations