Geometry & MOs

Info

ID:	238556
PubChem CID:	92741892
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-117.83
Dipole, Da:	6.05
IP(EA), eV:	-8.14(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C(=O)N([C@@](CN2C3=CC=CC=C31)(C)C(=O)NC4CCCC4)CC5=CC=CO5

DOS

IR

Vibrations