Geometry & MOs

Info

ID:	157204
PubChem CID:	56422394
Reduced:	O3S3N5H13C16 (1)
Stoich.:	A3B3C5D13E16 (1)
Weight, g/mol:	451.093681
ΔH_f, kcal/mol:	14.98
Dipole, Da:	8.37
IP(EA), eV:	-8.85(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)N=C2N1C=CC=C2C(=O)NC3=CC=CC=C3SC4=NN=CS4

DOS

IR

Vibrations