Geometry & MOs

Info

ID:	403513
PubChem CID:	135060623
Reduced:	SN2O2H20C29 (1)
Stoich.:	AB2C2D20E29 (1)
Weight, g/mol:	424.124549
ΔH_f, kcal/mol:	66.64
Dipole, Da:	7.5
IP(EA), eV:	-8.67(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(benzenesulfonyl)-4-cyclopropyl-3-phenylpyrido[3,4-b]indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=CC=CC=C4N(C3=CN=C2C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

DOS

IR

Vibrations