Geometry & MOs

Info

ID:	338959
PubChem CID:	127259970
Reduced:	NSO4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	516.124274
ΔH_f, kcal/mol:	-106.66
Dipole, Da:	6.78
IP(EA), eV:	-8.65(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-acetyloxyphenyl)-[2-(benzenesulfonyloxy)phenyl]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

C/C(=C/1\C=CC=CC1=O)/NC2=CC=CC=C2S(=O)(=O)O

DOS

IR

Vibrations