Geometry & MOs

Info

ID:	73785
PubChem CID:	48420426
Reduced:	SN4O5H12C13 (1)
Stoich.:	AB4C5D12E13 (1)
Weight, g/mol:	342.107653
ΔH_f, kcal/mol:	-111.92
Dipole, Da:	3.94
IP(EA), eV:	-10.39(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations