Geometry & MOs

Info

ID:	383652
PubChem CID:	134975502
Reduced:	H3N3O5C7 (1)
Stoich.:	A3B3C5D7 (1)
Weight, g/mol:	247.008534
ΔH_f, kcal/mol:	47.7
Dipole, Da:	6.08
IP(EA), eV:	-10.71(-2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-cyano-5-(dimethylamino)-1,2-thiazol-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

C1=C(C=C(C2=NOC=C21)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations