Geometry & MOs

Info

ID:	63809
PubChem CID:	26759230
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	419.062793
ΔH_f, kcal/mol:	-69.71
Dipole, Da:	6.64
IP(EA), eV:	-9.34(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=CC=C(C=C3)C#N

DOS

IR

Vibrations