Geometry & MOs

Info

ID:	50915
PubChem CID:	12013508
Reduced:	OSN5H15C19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	375.115381
ΔH_f, kcal/mol:	113.4
Dipole, Da:	2.16
IP(EA), eV:	-8.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations