Geometry & MOs

Info

ID:	140346
PubChem CID:	52685677
Reduced:	SN2O5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-141.76
Dipole, Da:	5.99
IP(EA), eV:	-8.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-N-[(3-phenylmethoxyphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC(=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations