Geometry & MOs

Info

ID:	384112
PubChem CID:	134976355
Reduced:	HSO3C4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	398.177584
ΔH_f, kcal/mol:	-96.54
Dipole, Da:	0.17
IP(EA), eV:	-8.58(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[2-[(1-methyl-1-oxo-2,4,5,6,7,7a-hexahydrophosphindol-6-yl)oxy]ethoxy]-2,4,5,6,7,7a-hexahydrophosphindole 1-oxide

Drug info:

PubChemData

Smile

C1(=C(C(=O)C1=O)SSC2=C(C(=O)C2=O)O)O

DOS

IR

Vibrations