Geometry & MOs

Info

ID:	339865
PubChem CID:	127261874
Reduced:	S2O3N4C6H10 (1)
Stoich.:	A2B3C4D6E10 (1)
Weight, g/mol:	287.119129
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	3.19
IP(EA), eV:	-9.35(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-[(E)-3-oxooct-1-enyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C([C@@H](C(=O)O)NC(=O)/C=N/NC(=S)N)S

DOS

IR

Vibrations