Geometry & MOs

Info

ID:	403415
PubChem CID:	135060167
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	417.97869
ΔH_f, kcal/mol:	-36.71
Dipole, Da:	5.26
IP(EA), eV:	-8.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-8-fluoro-5-(4-methylphenyl)sulfonylpyrido[4,3-b]indole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=NC=CC3=C2NC4=C3C=C(C=C4)OC)O

DOS

IR

Vibrations