Geometry & MOs

Info

ID:	80770
PubChem CID:	49836674
Reduced:	SCl2O2N4C18H18 (1)
Stoich.:	AB2C2D4E18F18 (1)
Weight, g/mol:	352.099397
ΔH_f, kcal/mol:	143.81
Dipole, Da:	23.74
IP(EA), eV:	-6.16(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(nitrosomethylidene)-1-[[5-[[(2E)-2-(nitrosomethylidene)pyridin-1-yl]methyl]thiophen-2-yl]methyl]pyridine

Drug info:

PubChemData

Smile

C1=C/C(=C\[NH+]=O)/N(C=C1)CC2=CC=C(S2)CN\3C=CC=C/C3=C/[NH+]=O.[Cl-].[Cl-]

DOS

IR

Vibrations