Geometry & MOs

Info

ID:	238527
PubChem CID:	92741744
Reduced:	FO3N4C27H37 (1)
Stoich.:	AB3C4D27E37 (1)
Weight, g/mol:	456.253669
ΔH_f, kcal/mol:	-182.27
Dipole, Da:	7.75
IP(EA), eV:	-8.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@]1(CN2C3=C(C=C(C=C3)F)C(=C2C(=O)N1C4CCCCCC4)NC(=O)C)C

DOS

IR

Vibrations