Geometry & MOs

Info

ID:	382966
PubChem CID:	134974424
Reduced:	NSO3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	322.113984
ΔH_f, kcal/mol:	-26.16
Dipole, Da:	6.54
IP(EA), eV:	-7.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H]1C3=CC4=C(C=C3N=[S+]2(C5=CC=CC=C5)[O-])OCO4

DOS

IR

Vibrations