Geometry & MOs

Info

ID:	36313
PubChem CID:	8001566
Reduced:	FN2O5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	391.059524
ΔH_f, kcal/mol:	-225.75
Dipole, Da:	6.25
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCC(=O)NCC1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations