Geometry & MOs

Info

ID:	340662
PubChem CID:	127262673
Reduced:	INPSH29C33 (1)
Stoich.:	ABCDE29F33 (1)
Weight, g/mol:	740.286757
ΔH_f, kcal/mol:	95.65
Dipole, Da:	4.5
IP(EA), eV:	-7.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-bis[4-(dimethylamino)phenyl]phosphanylphenoxathiin-4-yl]-[4-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline

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.[I-]

DOS

IR

Vibrations