Geometry & MOs

Info

ID:	142072
PubChem CID:	52976651
Reduced:	SO4N5C25H35 (1)
Stoich.:	AB4C5D25E35 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-98.37
Dipole, Da:	9.67
IP(EA), eV:	-8.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)NC(=O)C2C3CCCCC3NN2)S(=O)(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations