Geometry & MOs

Info

ID:	327098
PubChem CID:	126688994
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	433.031496
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	2.7
IP(EA), eV:	-8.53(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]-3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CCCC(CCC)OC(=O)C1CCC=CN1

DOS

IR

Vibrations