Geometry & MOs

Info

ID:	312554
PubChem CID:	126606490
Reduced:	SO2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	406.139194
ΔH_f, kcal/mol:	-19.67
Dipole, Da:	9.29
IP(EA), eV:	-8.84(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(hydroxymethoxy)-3-[4-pentyl-2-(trifluoromethyl)phenyl]chromen-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)C2=C(OC3=CC(=O)C=CC3=C2)S)CC

DOS

IR

Vibrations