Geometry & MOs

Info

ID:	154841
PubChem CID:	56314383
Reduced:	S2N3O3C22H31 (1)
Stoich.:	A2B3C3D22E31 (1)
Weight, g/mol:	490.207942
ΔH_f, kcal/mol:	-94.68
Dipole, Da:	5.2
IP(EA), eV:	-8.64(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)CCC(C)(C)C

DOS

IR

Vibrations