Geometry & MOs

Info

ID:	380872
PubChem CID:	134971451
Reduced:	NS2O6C14H25 (1)
Stoich.:	AB2C6D14E25 (1)
Weight, g/mol:	252.063388
ΔH_f, kcal/mol:	-269.46
Dipole, Da:	3.88
IP(EA), eV:	-8.46(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methoxy-2-oxoethyl)-1,3-benzodioxole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]([C@@H]1[C@H](OCO1)[C@@H](CO)OCOC)C2SCCCS2

DOS

IR

Vibrations