Geometry & MOs

Info

ID:	160085
PubChem CID:	57304679
Reduced:	OSF2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	443.101428
ΔH_f, kcal/mol:	-121.9
Dipole, Da:	4.53
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-[5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(C=CC1)OC(=S)C(F)F

DOS

IR

Vibrations