Geometry & MOs

Info

ID:	155387
PubChem CID:	56353030
Reduced:	BrO3N4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	448.092929
ΔH_f, kcal/mol:	-2.81
Dipole, Da:	2.09
IP(EA), eV:	-9.54(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations