Geometry & MOs

Info

ID:	231978
PubChem CID:	87575047
Reduced:	NS2O6C24H39 (1)
Stoich.:	AB2C6D24E39 (1)
Weight, g/mol:	193.040879
ΔH_f, kcal/mol:	-251.92
Dipole, Da:	8.86
IP(EA), eV:	-7.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-formamido-4-methylsulfinylbutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.CSCC[C@H](C(=O)O)NC=O

DOS

IR

Vibrations