Geometry & MOs

Info

ID:	327078
PubChem CID:	126688965
Reduced:	OPN3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	389.041667
ΔH_f, kcal/mol:	174.4
Dipole, Da:	2.2
IP(EA), eV:	-9.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylsulfanylformate

Drug info:

PubChemData

Smile

CN1C=C1P(=O)(C2=CN2C)C3=CN3C

DOS

IR

Vibrations