Geometry & MOs

Info

ID:	202419
PubChem CID:	79670885
Reduced:	SO4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	265.134779
ΔH_f, kcal/mol:	-165.25
Dipole, Da:	3.41
IP(EA), eV:	-9.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)O)CSCC(CO)O

DOS

IR

Vibrations