Geometry & MOs

Info

ID:	232853
PubChem CID:	87577238
Reduced:	ClS2F5N5O12C36H37 (1)
Stoich.:	AB2C5D5E12F36G37 (1)
Weight, g/mol:	525.177524
ΔH_f, kcal/mol:	-605.32
Dipole, Da:	7.61
IP(EA), eV:	-8.77(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzyl-4-diphenylphosphanyl-1H-pyrrol-3-yl)-diphenylphosphane

Drug info:

Smile

COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC.CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC3CCCO3

DOS

IR

Vibrations