Geometry & MOs

Info

ID:	34271
PubChem CID:	7890586
Reduced:	NSO3C8H9 (2)
Stoich.:	ABC3D8E9 (2)
Weight, g/mol:	411.08735
ΔH_f, kcal/mol:	-195.11
Dipole, Da:	4.79
IP(EA), eV:	-9.1(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CS1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations