Geometry & MOs

Info

ID:	235275
PubChem CID:	92304328
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	380.226392
ΔH_f, kcal/mol:	-12.99
Dipole, Da:	2.21
IP(EA), eV:	-8.12(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)[C@H](CC(=O)NC3CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations