Geometry & MOs

Info

ID:	34269
PubChem CID:	7890582
Reduced:	NSO6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	413.048857
ΔH_f, kcal/mol:	-211.07
Dipole, Da:	8.47
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations