Geometry & MOs

Info

ID:	73734
PubChem CID:	48420135
Reduced:	SN4O4C16H20 (1)
Stoich.:	AB4C4D16E20 (1)
Weight, g/mol:	369.143704
ΔH_f, kcal/mol:	-88.21
Dipole, Da:	4.01
IP(EA), eV:	-9.49(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[4-[2-(1,2,4-triazol-1-yl)ethoxycarbonyl]phenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations