Geometry & MOs

Info

ID:	49596
PubChem CID:	11533332
Reduced:	BrNSO3C24H34 (1)
Stoich.:	ABCD3E24F34 (1)
Weight, g/mol:	496.172104
ΔH_f, kcal/mol:	-120.02
Dipole, Da:	8.11
IP(EA), eV:	-8.57(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3S,5S,6R)-3-diphenylphosphanyloxy-6-bicyclo[3.2.0]heptanyl]oxy-diphenylphosphane

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)CC[C@@H](/C=C/[C@@H]2[C@H](C(CC2C=C)O)C/C=C\CCCC(=O)N)O)Br

DOS

IR

Vibrations