Geometry & MOs

Info

ID:	238535
PubChem CID:	92741779
Reduced:	FN4O4C25H31 (1)
Stoich.:	AB4C4D25E31 (1)
Weight, g/mol:	486.264234
ΔH_f, kcal/mol:	-205.5
Dipole, Da:	8.42
IP(EA), eV:	-8.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-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)NC4CCCC4)C[C@H]5CCCO5

DOS

IR

Vibrations