Geometry & MOs

Info

ID:	188489
PubChem CID:	77723737
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	501.137672
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	5.14
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonyl-2,6-dimethylphenyl] acetate

Drug info:

PubChemData

Smile

COC(=CCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations