Geometry & MOs

Info

ID:	160915
PubChem CID:	57390231
Reduced:	SN2O5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	507.132729
ΔH_f, kcal/mol:	-131.92
Dipole, Da:	11.3
IP(EA), eV:	-9.39(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[4-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CN=CC=C3

DOS

IR

Vibrations