Geometry & MOs

Info

ID:	30727
PubChem CID:	841772
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	299.034018
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	7.5
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-phenyl-2-(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=S)NC[C@@H]2CCCO2

DOS

IR

Vibrations