Geometry & MOs

Info

ID:	145157
PubChem CID:	53471753
Reduced:	O6C13H21 (2)
Stoich.:	A6B13C21 (2)
Weight, g/mol:	294.028852
ΔH_f, kcal/mol:	-575.57
Dipole, Da:	5.36
IP(EA), eV:	-10.73(0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,5-diphenyl-1,3,2,4,6,5-dithiatriazaphosphinan-5-ium

Drug info:

PubChemData

Smile

COC(=O)CCCCCC(C(C(C(CCCCCC(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations