Geometry & MOs

Info

ID:	63794
PubChem CID:	26759198
Reduced:	ClNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	427.041185
ΔH_f, kcal/mol:	-133.49
Dipole, Da:	7.2
IP(EA), eV:	-8.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations