Geometry & MOs

Info

ID:	391994
PubChem CID:	135011783
Reduced:	NSO6C19H27 (1)
Stoich.:	ABC6D19E27 (1)
Weight, g/mol:	470.167376
ΔH_f, kcal/mol:	-183.55
Dipole, Da:	6.68
IP(EA), eV:	-9.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(5E)-5-(4,5-diphenyl-1,3-oxazolidin-3-id-2-ylidene)cyclopenta-1,3-dien-1-yl]-diphenylphosphane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#C)C[C@H]2CO[C@@]([C@](O2)(C)OC)(C)OC

DOS

IR

Vibrations