Geometry & MOs

Info

ID:	44825
PubChem CID:	10506066
Reduced:	SN3O6H23C27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	517.210052
ΔH_f, kcal/mol:	-107.5
Dipole, Da:	4.57
IP(EA), eV:	-9.25(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-4-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one

Drug info:

PubChemData

Smile

COC(=O)CC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)C

DOS

IR

Vibrations