Geometry & MOs

Info

ID:	386866
PubChem CID:	134983186
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	345.206584
ΔH_f, kcal/mol:	39.3
Dipole, Da:	6.35
IP(EA), eV:	-9.09(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C[C@H](C=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations