Geometry & MOs

Info

ID:	63207
PubChem CID:	26750119
Reduced:	S2N4O5C17H22 (1)
Stoich.:	A2B4C5D17E22 (1)
Weight, g/mol:	410.085634
ΔH_f, kcal/mol:	-159.94
Dipole, Da:	3.83
IP(EA), eV:	-8.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 4-(4-chloro-2-methylphenoxy)butanoate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NNC(=O)C[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations