Geometry & MOs

Info

ID:	425205
PubChem CID:	135125515
Reduced:	SO5N6C27H28 (1)
Stoich.:	AB5C6D27E28 (1)
Weight, g/mol:	219.032955
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	9.92
IP(EA), eV:	-9.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylidenecyclobutyl)-4-(trifluoromethyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=CC(=CC=C3)N4C(=C(C=N4)C(=O)O)[C@@H]5C[C@H]5C6=CN(N=N6)C

DOS

IR

Vibrations