Geometry & MOs

Info

ID:	45901
PubChem CID:	10518888
Reduced:	OSN2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	308.098334
ΔH_f, kcal/mol:	41.54
Dipole, Da:	6.08
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylidene-4-N,5-N-bis(4-methylphenyl)-1,3-oxathiolane-4,5-diimine

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]([C@H](S1)SC2=CC=C(C=C2)C#N)O)N=[N+]=[N-])O

DOS

IR

Vibrations