Geometry & MOs

Info

ID:	397691
PubChem CID:	135030582
Reduced:	NO9C31H55 (1)
Stoich.:	AB9C31D55 (1)
Weight, g/mol:	368.125988
ΔH_f, kcal/mol:	-478.7
Dipole, Da:	3.64
IP(EA), eV:	-9.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R)-5-ethoxy-4,5-dioxo-2-phenylpentanoyl]benzoate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)/C(=C(/[C@@H](C)CCCCCCCCCCCCCCCCO[C@H]2C(C([C@@H](C(O2)CO)O)O)O)\O)/C(=O)N1C

DOS

IR

Vibrations