Geometry & MOs

Info

ID:	57306
PubChem CID:	22395631
Reduced:	SN2O5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	249.024892
ΔH_f, kcal/mol:	-77.63
Dipole, Da:	7.32
IP(EA), eV:	-9.38(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[nitro(phenyl)methyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

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CC#N.COC1=CC=C(C=C1)S(=O)(=O)O/N=C/OC2=CC=CC=C2

DOS

IR

Vibrations