Geometry & MOs

Info

ID:	51154
PubChem CID:	12013785
Reduced:	ClON5H18C25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	484.13176
ΔH_f, kcal/mol:	126.4
Dipole, Da:	2.98
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(5-anilino-1,3,4-oxadiazol-2-yl)-4,5-dihydrobenzo[g]indazol-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)Cl)C5=NN=C(O5)NC6=CC=CC=C6

DOS

IR

Vibrations