Geometry & MOs

Info

ID:	327090
PubChem CID:	126688981
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	353.041667
ΔH_f, kcal/mol:	-121.76
Dipole, Da:	2.68
IP(EA), eV:	-8.64(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(acetyloxymethoxycarbonylamino)-3-(acetyloxymethoxycarbonylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC(=O)C2CCC=CN2)OC

DOS

IR

Vibrations