Geometry & MOs

Info

ID:	360816
PubChem CID:	127301461
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	356.097683
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	6.07
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations