Geometry & MOs

Info

ID:	51148
PubChem CID:	12013776
Reduced:	SO3N5H21C25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	468.135304
ΔH_f, kcal/mol:	36.96
Dipole, Da:	6.53
IP(EA), eV:	-8.86(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-(4-chlorophenyl)-4,5-dihydrobenzo[g]indazol-3-yl]-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2=C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)N/N=C/C5=CC=CC=C5

DOS

IR

Vibrations