Geometry & MOs

Info

ID:	202448
PubChem CID:	79673473
Reduced:	NSO5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	253.04425
ΔH_f, kcal/mol:	-172.91
Dipole, Da:	5.16
IP(EA), eV:	-9.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methylsulfanyl-2-(prop-2-enylsulfonylamino)butanoic acid

Drug info:

PubChemData

Smile

C=CCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

DOS

IR

Vibrations