Geometry & MOs

Info

ID:	222586
PubChem CID:	85305572
Reduced:	SO3C22H30 (1)
Stoich.:	AB3C22D30 (1)
Weight, g/mol:	374.114568
ΔH_f, kcal/mol:	-142.35
Dipole, Da:	0.75
IP(EA), eV:	-8.55(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-chlorophenyl)-5-morpholin-4-yl-4,5-dihydrotriazol-1-yl]-6-methylpyran-2-one

Drug info:

PubChemData

Smile

CC1=C2CC(CCC2(C(CC1O)SC3=CC=CC=C3)C)C(C)C(=O)OC

DOS

IR

Vibrations