Geometry & MOs

Info

ID:	142552
PubChem CID:	53056059
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	450.153934
ΔH_f, kcal/mol:	-62.95
Dipole, Da:	6.33
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NC(=NO2)CCN(C)S(=O)(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations