Geometry & MOs

Info

ID:	238539
PubChem CID:	92741822
Reduced:	FO3N4C28H31 (1)
Stoich.:	AB3C4D28E31 (1)
Weight, g/mol:	470.269319
ΔH_f, kcal/mol:	-138.44
Dipole, Da:	8.38
IP(EA), eV:	-8.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-10-acetamido-N-cyclohexyl-8-fluoro-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C(=O)N([C@@](CN2C3=C1C=C(C=C3)F)(C)C(=O)NC4CCCCC4)CC5=CC=CC=C5

DOS

IR

Vibrations