Geometry & MOs

Info

ID:	187929
PubChem CID:	77644502
Reduced:	N2O6C29H32 (1)
Stoich.:	A2B6C29D32 (1)
Weight, g/mol:	635.288303
ΔH_f, kcal/mol:	-168.6
Dipole, Da:	5.03
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[4-[4-[2-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]phenoxy]butyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C=CC(=C1)C(CNCCC2=CC=C(C=C2)OCCOCC3=CC(=CC=C3)C#N)O)O

DOS

IR

Vibrations