Geometry & MOs

Info

ID:	39837
PubChem CID:	8142544
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	419.155572
ΔH_f, kcal/mol:	-140.02
Dipole, Da:	0.55
IP(EA), eV:	-8.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[(2R)-3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl]-2,6-dimethylanilino]-4-oxobutanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C[C@]2(C(=O)NC(=O)N(C2=O)CC=C)CCC3=CC=CC=N3)OC

DOS

IR

Vibrations