Geometry & MOs

Info

ID:	218899
PubChem CID:	85090132
Reduced:	O12C25H32 (1)
Stoich.:	A12B25C32 (1)
Weight, g/mol:	524.219889
ΔH_f, kcal/mol:	-512.09
Dipole, Da:	5.35
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-(3-methoxycarbonylphenyl)-2-(trityloxymethyl)pentanoic acid

Drug info:

PubChemData

Smile

CC1CC2C(C1COC3C(C(C(C(O3)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)C(C(=O)O2)CO

DOS

IR

Vibrations