Geometry & MOs

Info

ID:	235276
PubChem CID:	92304330
Reduced:	FON2C24H29 (1)
Stoich.:	ABC2D24E29 (1)
Weight, g/mol:	380.226392
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	2.02
IP(EA), eV:	-8.3(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)[C@H](CC(=O)N[C@@H](C)C(C)C)C3=CC(=CC=C3)F

DOS

IR

Vibrations