Geometry & MOs

Info

ID:	403342
PubChem CID:	135059803
Reduced:	N2O3H20C26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	449.127009
ΔH_f, kcal/mol:	3.26
Dipole, Da:	2.5
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azido-9-(dimethylsulfamoyl)-1-methyl-N-phenylpyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=NC=C3C4=CC=CC=C4NC3=C2C(=O)C5=CC=CC=C5

DOS

IR

Vibrations