Geometry & MOs

Info

ID:	401344
PubChem CID:	135051003
Reduced:	LiNOC6H8 (1)
Stoich.:	ABCD6E8 (1)
Weight, g/mol:	542.108248
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	7.65
IP(EA), eV:	-8.18(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-1-[2-[[2-[(4-methylphenyl)iminomethyl]-4-nitrophenyl]disulfanyl]-5-nitrophenyl]methanimine

Drug info:

PubChemData

Smile

[Li+].CC1=C(OC(=N1)[CH2-])C

DOS

IR

Vibrations