Geometry & MOs

Info

ID:	321469
PubChem CID:	126666099
Reduced:	ClSO2N3H12C17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	452.125133
ΔH_f, kcal/mol:	51.87
Dipole, Da:	1.98
IP(EA), eV:	-9.18(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[1-(4-chlorophenyl)ethyl]-3-methyl-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-7-yl]-4-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC=CS3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations