Geometry & MOs

Info

ID:	36458
PubChem CID:	8007087
Reduced:	SO2F3N5C17H20 (1)
Stoich.:	AB2C3D5E17F20 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-169.81
Dipole, Da:	5.55
IP(EA), eV:	-8.92(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NCC(F)(F)F)N3CCOCC3

DOS

IR

Vibrations