Geometry & MOs

Info

ID:	51152
PubChem CID:	12013782
Reduced:	ClSN5H18C25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	405.15896
ΔH_f, kcal/mol:	161.07
Dipole, Da:	3.59
IP(EA), eV:	-8.69(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-5-(2-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)-1,3,4-oxadiazol-2-amine

Drug info:

PubChemData

Smile

C1CC2=C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)Cl)C5=NNC(=S)N5C6=CC=CC=C6

DOS

IR

Vibrations