Geometry & MOs

Info

ID:	327664
PubChem CID:	126690672
Reduced:	BrSO2N3C8H10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	650.227768
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	5.96
IP(EA), eV:	-8.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[5-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-(2-nitroso-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)NC2=C(N=CC(=C2)Br)N

DOS

IR

Vibrations