Geometry & MOs

Info

ID:	150244
PubChem CID:	53789931
Reduced:	NSO3C8H11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	578.229225
ΔH_f, kcal/mol:	-89.8
Dipole, Da:	2.53
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl-[[2-[2-[benzylphosphanyl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phosphane

Drug info:

PubChemData

Smile

CCOC(=O)C1CN(C1=O)SC=C

DOS

IR

Vibrations