Geometry & MOs

Info

ID:	338449
PubChem CID:	127259141
Reduced:	NSO5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	335.046358
ΔH_f, kcal/mol:	-118.12
Dipole, Da:	5.41
IP(EA), eV:	-9.1(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-nitrophenyl)sulfonyl-phenylmethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)CS(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations