Geometry & MOs

Info

ID:	327112
PubChem CID:	126689020
Reduced:	NSO12C17H19 (1)
Stoich.:	ABC12D17E19 (1)
Weight, g/mol:	505.104267
ΔH_f, kcal/mol:	-480.67
Dipole, Da:	5.66
IP(EA), eV:	-10.03(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzoyloxymethoxycarbonylamino)-3-(benzoyloxymethoxycarbonylsulfanyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations