Geometry & MOs

Info

ID:	178308
PubChem CID:	76310020
Reduced:	NC19H41 (2)
Stoich.:	AB19C41 (2)
Weight, g/mol:	300.039105
ΔH_f, kcal/mol:	-147.08
Dipole, Da:	0.71
IP(EA), eV:	-8.53(1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-2-ylidenemethyl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCC

DOS

IR

Vibrations