Geometry & MOs

Info

ID:	347326
PubChem CID:	127272175
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-28.97
Dipole, Da:	2.48
IP(EA), eV:	-8.78(-0.7)
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-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2S1)NC(=O)NC3CCN(CC3)C4CC4)OC

DOS

IR

Vibrations