Geometry & MOs

Info

ID:	401592
PubChem CID:	135051765
Reduced:	NSF2O2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	415.097521
ΔH_f, kcal/mol:	-130.89
Dipole, Da:	5.83
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-nitro-1-trityloxybenzene

Drug info:

PubChemData

Smile

CCCCC(=C(F)F)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations