Geometry & MOs

Info

ID:	362587
PubChem CID:	127308344
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	358.092204
ΔH_f, kcal/mol:	-19.01
Dipole, Da:	4.29
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-5-yl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)urea

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)NC3=CC(=CC=C3)OCC4=CSC=N4

DOS

IR

Vibrations