Geometry & MOs

Info

ID:	235179
PubChem CID:	92304182
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	380.226392
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	4.23
IP(EA), eV:	-9.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)N([C@H](CO2)C(=O)NCC3=CC=CC=N3)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations