Geometry & MOs

Info

ID:	238559
PubChem CID:	92741905
Reduced:	SO3N4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	-80.18
Dipole, Da:	4.11
IP(EA), eV:	-8.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-acetamido-2-butyl-N-cyclopentyl-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=CS5

DOS

IR

Vibrations