Geometry & MOs

Info

ID:	49343
PubChem CID:	11532879
Reduced:	NSO3F9H12C16 (1)
Stoich.:	ABC3D9E12F16 (1)
Weight, g/mol:	469.155909
ΔH_f, kcal/mol:	-519.59
Dipole, Da:	3.92
IP(EA), eV:	-9.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[4-[(4-methoxyphenoxy)methyl]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CO2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations