Geometry & MOs

Info

ID:	328305
PubChem CID:	126700650
Reduced:	SN2F3O3H23C24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	263.119129
ΔH_f, kcal/mol:	-212.37
Dipole, Da:	4.22
IP(EA), eV:	-8.95(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(3-methylbutoxy)propanoylamino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=C)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O

DOS

IR

Vibrations