Geometry & MOs

Info

ID:	409988
PubChem CID:	135082775
Reduced:	SN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	303.023515
ΔH_f, kcal/mol:	-10.99
Dipole, Da:	7.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757723
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-(5-phenyl-1,3-oxathiol-2-ylidene)azanium;hydrogen sulfate

Drug info:

PubChemData

Smile

C1CC[N+](=C2OC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC1

DOS

IR

Vibrations