Geometry & MOs

Info

ID:	156311
PubChem CID:	56370049
Reduced:	BrClO2N3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	407.116444
ΔH_f, kcal/mol:	-26.55
Dipole, Da:	4.95
IP(EA), eV:	-8.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2CCN(CC2)C(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations