Geometry & MOs

Info

ID:	156324
PubChem CID:	56370082
Reduced:	BrO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	378.064983
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	2.47
IP(EA), eV:	-8.17(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-hydroxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=CC3=C(C=C2)N(C=C3)CCN4CCOCC4)Br

DOS

IR

Vibrations