Geometry & MOs

Info

ID:	150518
PubChem CID:	53790211
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	498.280381
ΔH_f, kcal/mol:	-144.67
Dipole, Da:	5.68
IP(EA), eV:	-10.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-acetyloxy-7-phenylheptyl)sulfanyl-7-phenylheptyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C

DOS

IR

Vibrations