Geometry & MOs

Info

ID:	309189
PubChem CID:	126539811
Reduced:	NSO2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	710.258972
ΔH_f, kcal/mol:	-42.87
Dipole, Da:	2.18
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-[bis[4-(N-methylanilino)phenyl]methylidene]-3-cyano-4-phenylthiophen-2-ylidene]-methyl-(2-nitrophenyl)azanium

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)CCO)SC=N2

DOS

IR

Vibrations