Geometry & MOs

Info

ID:	46532
PubChem CID:	10525045
Reduced:	O4C25H36 (1)
Stoich.:	A4B25C36 (1)
Weight, g/mol:	400.106791
ΔH_f, kcal/mol:	-226.07
Dipole, Da:	1.89
IP(EA), eV:	-8.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylidene-4-N,5-N-bis(4-methylphenyl)-1,3-dithiolane-4,5-diimine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C=C1C)O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)(CCCC4(C)C)C)C)O

DOS

IR

Vibrations