Geometry & MOs

Info

ID:	315459
PubChem CID:	126626834
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	396.098472
ΔH_f, kcal/mol:	20.33
Dipole, Da:	1.53
IP(EA), eV:	-8.24(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-fluoro-4-[[4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC=C(/C(=N/S)/C2N)C3=CC=C(O3)C

DOS

IR

Vibrations