Geometry & MOs

Info

ID:	155177
PubChem CID:	56320925
Reduced:	ClN2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	399.122833
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	5.4
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C3=CC(=C(C=C3OC)N4C=CC=C4)Cl

DOS

IR

Vibrations