Geometry & MOs

Info

ID:	34167
PubChem CID:	7890145
Reduced:	NO4H17C23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	413.048857
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	3.22
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations