Geometry & MOs

Info

ID:	51122
PubChem CID:	12013746
Reduced:	NO6C12H19 (1)
Stoich.:	AB6C12D19 (1)
Weight, g/mol:	273.121237
ΔH_f, kcal/mol:	-245.45
Dipole, Da:	4.73
IP(EA), eV:	-10.1(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 2-O-methyl (2S,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H]([C@@H]1C(=O)OC)[C@H]2COC(O2)(C)C

DOS

IR

Vibrations