Geometry & MOs

Info

ID:	63759
PubChem CID:	26759131
Reduced:	NSCl2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	383.01497
ΔH_f, kcal/mol:	-98.76
Dipole, Da:	3.79
IP(EA), eV:	-8.93(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations