Geometry & MOs

Info

ID:	56462
PubChem CID:	17435694
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	5.83
IP(EA), eV:	-9.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CNC(=O)CC2=CSC(=N2)C3=CC=CC=N3

DOS

IR

Vibrations