Geometry & MOs

Info

ID:	403514
PubChem CID:	135060624
Reduced:	SN2O2H20C26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	494.184172
ΔH_f, kcal/mol:	56.02
Dipole, Da:	7.31
IP(EA), eV:	-8.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-methoxyphenyl)-3-[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC1C2=C3C4=CC=CC=C4N(C3=CN=C2C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

DOS

IR

Vibrations