Geometry & MOs

Info

ID:	22629
PubChem CID:	598039
Reduced:	N2O11C22H24 (1)
Stoich.:	A2B11C22D24 (1)
Weight, g/mol:	492.13801
ΔH_f, kcal/mol:	-369.08
Dipole, Da:	8.31
IP(EA), eV:	-9.39(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(5-nitroindol-1-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)N2C=CC3=C2C=CC(=C3)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations