Geometry & MOs

Info

ID:	326502
PubChem CID:	126687684
Reduced:	OF2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	505.153464
ΔH_f, kcal/mol:	-149.26
Dipole, Da:	1.48
IP(EA), eV:	-9.07(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-[6-[[(1R)-4-(thiomorpholin-4-ylmethyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-1-benzofuran-3-ylidene]acetate

Drug info:

PubChemData

Smile

CC(C)(C(C1=CC=CC2=C1CCC2)(F)F)OC

DOS

IR

Vibrations