Geometry & MOs

Info

ID:	150556
PubChem CID:	53790249
Reduced:	O3N6C25H36 (1)
Stoich.:	A3B6C25D36 (1)
Weight, g/mol:	534.228739
ΔH_f, kcal/mol:	-124.03
Dipole, Da:	1.37
IP(EA), eV:	-8.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[2-(3-methoxy-3-oxopropyl)-3-(6-methylsulfonyloxyhexyl)phenoxy]propyl]benzoate

Drug info:

PubChemData

Smile

CNC(=O)C1(CCNC(C1)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O)N5CCCCC5=O

DOS

IR

Vibrations