Geometry & MOs

Info

ID:	157307
PubChem CID:	56422783
Reduced:	OS3N6H12C17 (1)
Stoich.:	AB3C6D12E17 (1)
Weight, g/mol:	405.037247
ΔH_f, kcal/mol:	127.85
Dipole, Da:	6.83
IP(EA), eV:	-9.02(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-5-methylphenoxy)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)NC3=CC=CC=C3SC4=NN=CS4

DOS

IR

Vibrations