Geometry & MOs

Info

ID:	237831
PubChem CID:	92721810
Reduced:	SN3O3C26H29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	491.224263
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	1.8
IP(EA), eV:	-8.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CN2C(=CC3=C2C=C(C=C3)OC)C(=O)N1C4=CC(=CC=C4)SC)C(=O)NC5CCCC5

DOS

IR

Vibrations