Geometry & MOs

Info

ID:	41048
PubChem CID:	8145171
Reduced:	SO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	18.76
Dipole, Da:	5.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818507
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=S

DOS

IR

Vibrations