Geometry & MOs

Info

ID:	141578
PubChem CID:	52895925
Reduced:	SO3N4C25H38 (1)
Stoich.:	AB3C4D25E38 (1)
Weight, g/mol:	468.040284
ΔH_f, kcal/mol:	-132.24
Dipole, Da:	7.3
IP(EA), eV:	-9.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-(4-chlorophenyl)-7-methyl-2-(2-methylsulfonylethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)N3CCC[C@H]4[C@H]3CCCC4

DOS

IR

Vibrations