Geometry & MOs

Info

ID:	68917
PubChem CID:	46511933
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	466.128646
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	9.41
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(tert-butylamino)-1-oxopropan-2-yl] 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCC(=O)C1=C(N(C(=C1)C)NC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations