Geometry & MOs

Info

ID:	50914
PubChem CID:	12013507
Reduced:	SO2N5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	361.099731
ΔH_f, kcal/mol:	54.77
Dipole, Da:	4.09
IP(EA), eV:	-8.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-phenyl-5-[(5-phenyl-1H-pyrazol-3-yl)imino]-1,3,4-thiadiazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=NC2=NNC(=C2)C3=CC=CC=C3)S1)C4=CC=C(C=C4)C

DOS

IR

Vibrations