Geometry & MOs

Info

ID:	446713
PubChem CID:	135277124
Reduced:	SF3N3O3C28H34 (1)
Stoich.:	AB3C3D3E28F34 (1)
Weight, g/mol:	409.116874
ΔH_f, kcal/mol:	-192.61
Dipole, Da:	3.42
IP(EA), eV:	-8.3(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-1-(2-chloro-5-methoxypyridin-4-yl)-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC3(CC3)S(=O)(=O)C)C4=C(C=CC(=C4F)OCCNCCCF)F)NC5=CC=CC=C25

DOS

IR

Vibrations