Geometry & MOs

Info

ID:	355774
PubChem CID:	127290626
Reduced:	N2S2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	379.102434
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	5.68
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperazin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)NCCN3CCC4=C(C3)C=CS4

DOS

IR

Vibrations