Geometry & MOs

Info

ID:	149148
PubChem CID:	53788820
Reduced:	S2O5C8H14 (1)
Stoich.:	A2B5C8D14 (1)
Weight, g/mol:	425.252586
ΔH_f, kcal/mol:	-196.13
Dipole, Da:	5.01
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(aziridin-1-yl)propanoyloxy]-2-[3-(aziridin-1-yl)propanoyloxymethyl]pentyl] 3-(aziridin-1-yl)propanoate

Drug info:

PubChemData

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C[C@H]1[C@H]([C@H]([C@@H](C(O1)OC(=S)SC)O)O)O

DOS

IR

Vibrations