Geometry & MOs

Info

ID:	443043
PubChem CID:	135257525
Reduced:	SN2O4F5H23C27 (1)
Stoich.:	AB2C4D5E23F27 (1)
Weight, g/mol:	347.02507
ΔH_f, kcal/mol:	-310.37
Dipole, Da:	1.89
IP(EA), eV:	-9.58(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

C1COCCC1C2=CC=C(C=C2)CN(C3=CC=C(C=C3)C(=O)O)C(=O)CNSC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations