Geometry & MOs

Info

ID:	310636
PubChem CID:	126584071
Reduced:	FSN3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	-151.36
Dipole, Da:	6.99
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-amino-3-hydroxybut-3-enyl)-4-nitro-1H-indol-7-yl] cyanate

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)C3=CNC4=C3C=CC(=C4)F)CCO

DOS

IR

Vibrations