Geometry & MOs

Info

ID:	35627
PubChem CID:	7980115
Reduced:	N2S2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-134.68
Dipole, Da:	5.77
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-methyl-4-(4-nitrophenoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N[C@H]3CCS(=O)(=O)C3)N

DOS

IR

Vibrations