Geometry & MOs

Info

ID:	446995
PubChem CID:	135279391
Reduced:	OSC17H24 (1)
Stoich.:	ABC17D24 (1)
Weight, g/mol:	444.157288
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	3.3
IP(EA), eV:	-8.68(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxopropan-2-yl 4-[4-[4-(3-oxobutan-2-yloxycarbonyl)phenyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC/C=C/C(=C)C1=C(C=C(C=C1C)OCCCS)C

DOS

IR

Vibrations