Geometry & MOs

Info

ID:	45885
PubChem CID:	10518679
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	306.110338
ΔH_f, kcal/mol:	-186.72
Dipole, Da:	5.0
IP(EA), eV:	-9.57(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2R)-1-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-5-methoxy-5-oxopent-3-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(OC(=O)N1C(=O)C[C@H](C2=CC=CC=C2)O)(C)C

DOS

IR

Vibrations