Geometry & MOs

Info

ID:	22801
PubChem CID:	598755
Reduced:	SN2O2H18C21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	362.108899
ΔH_f, kcal/mol:	4.98
Dipole, Da:	1.53
IP(EA), eV:	-8.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)COC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations