Geometry & MOs

Info

ID:	404565
PubChem CID:	135066844
Reduced:	NSO4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	356.028992
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	1.76
IP(EA), eV:	-8.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-nitro-2-[2-(trifluoromethylsulfonylamino)ethyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)C3=C(C=CC=C3OC(=O)C)OC(=O)C

DOS

IR

Vibrations