Geometry & MOs

Info

ID:	238532
PubChem CID:	92741766
Reduced:	FO3N4C28H31 (1)
Stoich.:	AB3C4D28E31 (1)
Weight, g/mol:	490.238019
ΔH_f, kcal/mol:	-140.98
Dipole, Da:	6.15
IP(EA), eV:	-8.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(N3C[C@]2(C)C(=O)NC5CCCC5)C=CC(=C4)F)NC(=O)C

DOS

IR

Vibrations