Geometry & MOs

Info

ID:	43282
PubChem CID:	10320670
Reduced:	O2N5C25H31 (1)
Stoich.:	A2B5C25D31 (1)
Weight, g/mol:	434.157861
ΔH_f, kcal/mol:	45.23
Dipole, Da:	4.52
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(5-ethylbenzo[c][1,2]benzothiazin-5-ium-6-yl)-2,3-diphenylcyclopropen-1-ol

Drug info:

PubChemData

Smile

C1CN(C1)CC2=CN=C(C=C2)OC[C@H]3CC[C@H]4CN(CCN4C3)C5=NOC6=CC=CC=C65

DOS

IR

Vibrations