Geometry & MOs

Info

ID:	321781
PubChem CID:	126666974
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	558.137103
ΔH_f, kcal/mol:	-131.85
Dipole, Da:	4.84
IP(EA), eV:	-10.37(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-(phenylmethoxymethyl)-1-[4-(trifluoromethyl)phenyl]azetidine-3-carboxamide

Drug info:

PubChemData

Smile

C=C[C@@H]1C[C@H](C[C@H]1O)C(=O)O

DOS

IR

Vibrations