Geometry & MOs

Info

ID:	63774
PubChem CID:	26759161
Reduced:	ClNSO3C20H22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	407.095807
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	6.15
IP(EA), eV:	-8.63(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations