Geometry & MOs

Info

ID:	191630
PubChem CID:	78170214
Reduced:	O4N5C14H14 (1)
Stoich.:	A4B5C14D14 (1)
Weight, g/mol:	245.029269
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	3.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756432
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-3-methylsulfanyl-1,7a-dihydro-[1,2]thiazolo[3,4-d]pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CN1C(=O)C(C=[N+](C1=O)C)N2C(=O)N(C(=O)N2)C3=CC=CC=C3

DOS

IR

Vibrations