Geometry & MOs

Info

ID:	356206
PubChem CID:	127291242
Reduced:	FSO2N3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-82.74
Dipole, Da:	4.49
IP(EA), eV:	-8.83(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutanecarbonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCC4=C(C3)C5=C(N4)C=CC(=C5)F

DOS

IR

Vibrations