Geometry & MOs

Info

ID:	237827
PubChem CID:	92721803
Reduced:	SO2N3C27H31 (1)
Stoich.:	AB2C3D27E31 (1)
Weight, g/mol:	435.19582
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	1.49
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclopentyl-2-(4-fluorophenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CN2C3=CC=CC=C3C=C2C(=O)N1CCC4=CC=C(C=C4)SC)C(=O)NC5CCCC5

DOS

IR

Vibrations