Geometry & MOs

Info

ID:	47022
PubChem CID:	10528998
Reduced:	PN2O10C20H29 (1)
Stoich.:	AB2C10D20E29 (1)
Weight, g/mol:	339.97329
ΔH_f, kcal/mol:	-316.73
Dipole, Da:	5.38
IP(EA), eV:	-9.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,6-dimethyl-2-methylselanyl-5-phenyl-[1,3]dithiolo[4,5-c]pyrrol-3-ium

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@H](C(=C(O1)C(=O)N(OCC)OCC)P(=O)(OC)OC)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations