Geometry & MOs

Info

ID:	68635
PubChem CID:	46508807
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	455.200905
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	4.76
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations