Geometry & MOs

Info

ID:	132819
PubChem CID:	51427037
Reduced:	SO2N5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	343.110296
ΔH_f, kcal/mol:	55.21
Dipole, Da:	6.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.402797
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2=NN=C(C2)C3=C(C(=C(C=C3)C)C)[O-]

DOS

IR

Vibrations