Geometry & MOs

Info

ID:	243150
PubChem CID:	99216018
Reduced:	FSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	485.188546
ΔH_f, kcal/mol:	-63.65
Dipole, Da:	3.67
IP(EA), eV:	-8.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-(1H-indole-3-carbonyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)F)C(=O)[C@H]2CSCN2C(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations