Geometry & MOs

Info

ID:	339870
PubChem CID:	127261879
Reduced:	NSO4C8H13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	281.014505
ΔH_f, kcal/mol:	-179.38
Dipole, Da:	8.46
IP(EA), eV:	-9.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-[(E)-1,3,3,3-tetrafluoro-2-(fluoromethoxy)prop-1-enyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1COC(=O)[C@@H]1CSC[C@@H](C(=O)O)N

DOS

IR

Vibrations