Geometry & MOs

Info

ID:	194041
PubChem CID:	78472745
Reduced:	N2O2C11H26 (1)
Stoich.:	A2B2C11D26 (1)
Weight, g/mol:	313.039536
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	5.12
IP(EA), eV:	-8.82(1.34)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-nitrophenolate

Drug info:

PubChemData

Smile

CC(C)(C)OCC(C[NH+]1CC[NH2+]CC1)O

DOS

IR

Vibrations