Geometry & MOs

Info

ID:	26870
PubChem CID:	800897
Reduced:	NO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	330.101369
ΔH_f, kcal/mol:	-143.87
Dipole, Da:	2.47
IP(EA), eV:	-9.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)C(=O)N[C@H]2CC(=O)O

DOS

IR

Vibrations