Geometry & MOs

Info

ID:	238524
PubChem CID:	92741730
Reduced:	FO3N4C28H33 (1)
Stoich.:	AB3C4D28E33 (1)
Weight, g/mol:	496.228597
ΔH_f, kcal/mol:	-145.75
Dipole, Da:	5.56
IP(EA), eV:	-8.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-10-acetamido-8-fluoro-2-[(4-fluorophenyl)methyl]-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)N1CCC4=CC=CC=C4)NC(=O)C)C

DOS

IR

Vibrations