Geometry & MOs

Info

ID:	306370
PubChem CID:	125011472
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-114.01
Dipole, Da:	8.8
IP(EA), eV:	-9.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(2-methoxyphenyl)-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCC[C@H](C1)C2=NC=C(C=C2)C3=CC(=CC=C3)C(=O)O

DOS

IR

Vibrations