Geometry & MOs

Info

ID:	36878
PubChem CID:	8014146
Reduced:	ClSO5H17C20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	387.150429
ΔH_f, kcal/mol:	-158.68
Dipole, Da:	6.71
IP(EA), eV:	-8.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C(=CC(=O)O2)COC(=O)C3=C(C=C(C=C3)SC)OC

DOS

IR

Vibrations