Geometry & MOs

Info

ID:	431264
PubChem CID:	135171335
Reduced:	OSN4C25H28 (1)
Stoich.:	ABC4D25E28 (1)
Weight, g/mol:	390.104505
ΔH_f, kcal/mol:	35.74
Dipole, Da:	2.45
IP(EA), eV:	-8.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-bis[2-(5-oxothiolane-3-carbonyl)oxyethyl]azanium

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=CC=CC=C3S2)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations