Geometry & MOs

Info

ID:	340458
PubChem CID:	127262469
Reduced:	SN3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	310.957455
ΔH_f, kcal/mol:	6.14
Dipole, Da:	3.79
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(5,6-dichloro-3H-1,3-benzothiazol-2-ylidene)-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCC(CCCC)C1=NN=C(S1)N

DOS

IR

Vibrations