Geometry & MOs

Info

ID:	358424
PubChem CID:	127295969
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-45.65
Dipole, Da:	4.02
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CC=C2)NC(=O)N(C)CC3CCCOC3

DOS

IR

Vibrations