Geometry & MOs

Info

ID:	402450
PubChem CID:	135056009
Reduced:	NO3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	340.149701
ΔH_f, kcal/mol:	-171.73
Dipole, Da:	4.99
IP(EA), eV:	-9.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-phenylsulfanylcyclooctyl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](C[C@@H](C2=CC=CC=C2)O[N+](=O)[O-])C=O

DOS

IR

Vibrations