Geometry & MOs

Info

ID:	46500
PubChem CID:	10524804
Reduced:	SN2O6C18H24 (1)
Stoich.:	AB2C6D18E24 (1)
Weight, g/mol:	396.164302
ΔH_f, kcal/mol:	-224.33
Dipole, Da:	7.4
IP(EA), eV:	-9.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6S)-4,6-dimethyl-5-methylidene-2,3,6-triphenyl-1lambda5-phosphabicyclo[2.2.1]hept-2-ene 1-oxide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC=C1S(=O)(=O)C2=CC=CN2C(=O)OC(C)(C)C

DOS

IR

Vibrations