Geometry & MOs

Info

ID:	242990
PubChem CID:	99214852
Reduced:	SN3O3C22H35 (1)
Stoich.:	AB3C3D22E35 (1)
Weight, g/mol:	397.112999
ΔH_f, kcal/mol:	-146.02
Dipole, Da:	4.19
IP(EA), eV:	-8.91(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)N[C@@H](C)CN3C[C@@H](C[C@@H](C3)C)C

DOS

IR

Vibrations