Geometry & MOs

Info

ID:	151709
PubChem CID:	56269764
Reduced:	S2O3N4C22H26 (1)
Stoich.:	A2B3C4D22E26 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	-47.18
Dipole, Da:	5.79
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantylamino)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC(=CC=C2)N3C(=CC=N3)C

DOS

IR

Vibrations