Geometry & MOs

Info

ID:	63796
PubChem CID:	26759206
Reduced:	NSCl2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	397.03062
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	4.15
IP(EA), eV:	-9.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations