Geometry & MOs

Info

ID:	178284
PubChem CID:	76308475
Reduced:	F3N3O4H16C21 (1)
Stoich.:	A3B3C4D16E21 (1)
Weight, g/mol:	612.117807
ΔH_f, kcal/mol:	-215.27
Dipole, Da:	7.3
IP(EA), eV:	-9.38(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-4-[(E)-3-oxo-3-[[5-(phenylsulfamoyl)naphthalen-1-yl]-(trifluoromethyl)amino]prop-1-enyl]phenyl] acetate

Drug info:

PubChemData

Smile

C1C[C@H]2C3=C(N=CN3C4=C(C=C(C=C4)C5=CC=CO5)C(=O)N2C1)C(=O)OCC(F)(F)F

DOS

IR

Vibrations