Geometry & MOs

Info

ID:	238544
PubChem CID:	92741846
Reduced:	FO3N4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	484.284969
ΔH_f, kcal/mol:	-168.73
Dipole, Da:	4.29
IP(EA), eV:	-8.55(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-acetamido-N-cycloheptyl-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)C5CCCC5

DOS

IR

Vibrations