Geometry & MOs

Info

ID:	395922
PubChem CID:	135026903
Reduced:	N4O6H24C27 (1)
Stoich.:	A4B6C24D27 (1)
Weight, g/mol:	585.08187
ΔH_f, kcal/mol:	-62.96
Dipole, Da:	6.69
IP(EA), eV:	-9.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1C[C@H](C2([C@]13C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)CC5=CC(=C(C=C5C2=O)OC)OC)C6=CC=NC=C6

DOS

IR

Vibrations