Geometry & MOs

Info

ID:	404919
PubChem CID:	135071715
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	678.439658
ΔH_f, kcal/mol:	-47.93
Dipole, Da:	3.89
IP(EA), eV:	-9.55(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7,10,11-tetrahexoxytriphenylene-2,3-dicarbonitrile

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/C=N/S(=O)(=O)C(C)(C)C

DOS

IR

Vibrations