Geometry & MOs

Info

ID:	347327
PubChem CID:	127272176
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-95.83
Dipole, Da:	0.86
IP(EA), eV:	-8.65(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-3-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2S1)NC(=O)NCC3CCCCO3)OC

DOS

IR

Vibrations