Geometry & MOs

Info

ID:	409061
PubChem CID:	135081835
Reduced:	NO2S2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	372.106788
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	8.54
IP(EA), eV:	-8.19(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-13-phosphapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene

Drug info:

PubChemData

Smile

CCO/C(=C(/C(=S)SC)\[N+]1=CC2=CC=CC=C2C=C1)/[O-]

DOS

IR

Vibrations