Geometry & MOs

Info

ID:	409046
PubChem CID:	135081820
Reduced:	OSN4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	610.240184
ΔH_f, kcal/mol:	121.69
Dipole, Da:	5.36
IP(EA), eV:	-8.4(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(1R,2R,3R,4S)-2,3-bis(diphenylphosphanylmethyl)-7-bicyclo[2.2.1]heptanyl]oxy]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CN(C)CCC1=C2C(=C3C4=C(C=C[N+]3(C)[O-])C5=CC=CC=C5N=C14)SC=N2

DOS

IR

Vibrations