Geometry & MOs

Info

ID:	402025
PubChem CID:	135053903
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	474.057121
ΔH_f, kcal/mol:	-165.75
Dipole, Da:	4.38
IP(EA), eV:	-9.68(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3,3,3-trifluoro-1-naphthalen-2-yl-1-thiophen-3-ylprop-1-en-2-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H](C(=O)OCC)O)/C(=N/C(=O)OCC1=CC=CC=C1)/C2=CC=CC=C2

DOS

IR

Vibrations