Geometry & MOs

Info

ID:	362003
PubChem CID:	127305349
Reduced:	F2O3N4C19H20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-146.29
Dipole, Da:	5.99
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)F)F)CN4C=CC=N4

DOS

IR

Vibrations