Geometry & MOs

Info

ID:	189667
PubChem CID:	77886799
Reduced:	SO3N5C30H35 (1)
Stoich.:	AB3C5D30E35 (1)
Weight, g/mol:	506.310238
ΔH_f, kcal/mol:	-47.75
Dipole, Da:	8.39
IP(EA), eV:	-8.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-benzhydrylcyclopenta-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-ylmethyl]-dicyclohexylphosphane

Drug info:

PubChemData

Smile

CCN1CC(=O)N2C(N1C(=O)NCC3=CC=CC=C3)CN(C(=O)C2CCSC)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations