Geometry & MOs

Info

ID:	340659
PubChem CID:	127262670
Reduced:	NPSH29C33 (1)
Stoich.:	ABCD29E33 (1)
Weight, g/mol:	384.073773
ΔH_f, kcal/mol:	125.18
Dipole, Da:	9.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.006936
Charge, e:	0

Chem-info

IUPAC name:

phenoxathiin-4-yl(diphenyl)phosphane

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC6=CC=CC=C61

DOS

IR

Vibrations