Geometry & MOs

Info

ID:	159454
PubChem CID:	57280232
Reduced:	NO5C18H33 (1)
Stoich.:	AB5C18D33 (1)
Weight, g/mol:	316.998935
ΔH_f, kcal/mol:	-299.81
Dipole, Da:	2.77
IP(EA), eV:	-9.6(0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-sulfanylbenzotriazol-2-ium-2-yl)sulfanyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCCC1(CCCCC1NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations