Geometry & MOs

Info

ID:	38457
PubChem CID:	8092290
Reduced:	SO2N3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	409.216555
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	1.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752844
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3-fluorophenyl)-3-(1H-indol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide

Drug info:

PubChemData

Smile

CC[C@@H]1C(=O)N([C@@H](S1)C2=CC=C(C=C2)C)CC[NH+]3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations