Geometry & MOs

Info

ID:	393535
PubChem CID:	135020917
Reduced:	NS2O9C22H33 (1)
Stoich.:	AB2C9D22E33 (1)
Weight, g/mol:	269.103851
ΔH_f, kcal/mol:	-386.91
Dipole, Da:	4.94
IP(EA), eV:	-8.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methoxy-1-(2-methyl-6-pyridin-2-yl-1H-pyridin-4-ylidene)-2-oxoethanediazonium

Drug info:

PubChemData

Smile

CCCN(CC1CC1)C(=S)S[C@H]2C(C([C@@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations