Geometry & MOs

Info

ID:	63793
PubChem CID:	26759197
Reduced:	NSCl2O4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	393.080157
ΔH_f, kcal/mol:	-137.43
Dipole, Da:	7.81
IP(EA), eV:	-8.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations