Geometry & MOs

Info

ID:	128097
PubChem CID:	51031094
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	436.209718
ΔH_f, kcal/mol:	-132.75
Dipole, Da:	3.91
IP(EA), eV:	-9.67(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-[(4S,5R)-5-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-4,6-dimethoxybenzoic acid

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)NC(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations