Geometry & MOs

Info

ID:	327099
PubChem CID:	126688996
Reduced:	NSO12C15H15 (1)
Stoich.:	ABC12D15E15 (1)
Weight, g/mol:	437.135567
ΔH_f, kcal/mol:	-460.29
Dipole, Da:	7.11
IP(EA), eV:	-10.06(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-3-(2,2-dimethylpropanoyloxymethoxycarbonylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)COC(=O)N[C@@H](CSC(=O)OCC2=C(OC(=O)O2)C)C(=O)O

DOS

IR

Vibrations