Geometry & MOs

Info

ID:	122509
PubChem CID:	50809801
Reduced:	ClSF2O3N4H13C19 (1)
Stoich.:	ABC2D3E4F13G19 (1)
Weight, g/mol:	468.113523
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	2.62
IP(EA), eV:	-9.45(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)N=C(O2)SCC3=NOC(=N3)CCC(=O)NC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations