Geometry & MOs

Info

ID:	56412
PubChem CID:	17425380
Reduced:	FS2O3N4H17C21 (1)
Stoich.:	AB2C3D4E17F21 (1)
Weight, g/mol:	434.063796
ΔH_f, kcal/mol:	-27.41
Dipole, Da:	9.04
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1OC)C2=NC(=CS2)CSC3=NN=C(O3)C4=CC=CC=C4F

DOS

IR

Vibrations