Geometry & MOs

Info

ID:	383175
PubChem CID:	134974747
Reduced:	INOSC17H18 (1)
Stoich.:	ABCDE17F18 (1)
Weight, g/mol:	283.103085
ΔH_f, kcal/mol:	25.22
Dipole, Da:	4.58
IP(EA), eV:	-8.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](C[S+](=N2)(C3=CC=CC=C3)[O-])CCI

DOS

IR

Vibrations