Geometry & MOs

Info

ID:	38821
PubChem CID:	8137982
Reduced:	ClSN4O5C16H17 (1)
Stoich.:	ABC4D5E16F17 (1)
Weight, g/mol:	299.092436
ΔH_f, kcal/mol:	-128.23
Dipole, Da:	3.86
IP(EA), eV:	-9.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NNC(=O)C3=CC=CN3)Cl

DOS

IR

Vibrations