Geometry & MOs

Info

ID:	180439
PubChem CID:	76632873
Reduced:	N2F3O4C21H23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	631.172347
ΔH_f, kcal/mol:	-287.04
Dipole, Da:	8.54
IP(EA), eV:	-8.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-5-[1-(benzenesulfonyl)indol-3-yl]-6-ethoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(F)(F)F)CNC2=CC(=CC(=C2)C(=O)O)C3CCCCN3

DOS

IR

Vibrations