Geometry & MOs

Info

ID:	216804
PubChem CID:	85086800
Reduced:	NO2S2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	303.04852
ΔH_f, kcal/mol:	-22.31
Dipole, Da:	2.51
IP(EA), eV:	-8.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-chloro-3-methyl-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate

Drug info:

PubChemData

Smile

COC(=O)NC=C1C2=CC=CC=C2SCC3=C1SC=C3

DOS

IR

Vibrations