Geometry & MOs

Info

ID:	357317
PubChem CID:	127293950
Reduced:	S2N3O4C12H23 (1)
Stoich.:	A2B3C4D12E23 (1)
Weight, g/mol:	346.103437
ΔH_f, kcal/mol:	-181.49
Dipole, Da:	5.77
IP(EA), eV:	-8.67(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations