Geometry & MOs

Info

ID:	132815
PubChem CID:	51426707
Reduced:	S2N4O4H15C17 (1)
Stoich.:	A2B4C4D15E17 (1)
Weight, g/mol:	329.094646
ΔH_f, kcal/mol:	1.43
Dipole, Da:	13.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.042359
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,4-dihydropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[N-]S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations