Geometry & MOs

Info

ID:	164406
PubChem CID:	74396201
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	436.118082
ΔH_f, kcal/mol:	36.51
Dipole, Da:	4.4
IP(EA), eV:	-8.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-oxopyridin-2-ylidene)-5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-3,3a,7,7a-tetrahydro-2H-[1,2]thiazolo[5,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)N2C(=O)C3C(NSC3NC2=C4C=CC=CC4=O)C#N

DOS

IR

Vibrations