Geometry & MOs

Info

ID:	11318
PubChem CID:	113849
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	388.182064
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	4.98
IP(EA), eV:	-8.29(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylsulfinylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCS(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O

DOS

IR

Vibrations