Geometry & MOs

Info

ID:	399567
PubChem CID:	135040940
Reduced:	O4C11H22 (1)
Stoich.:	A4B11C22 (1)
Weight, g/mol:	406.271924
ΔH_f, kcal/mol:	-224.79
Dipole, Da:	1.93
IP(EA), eV:	-10.16(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(3R)-3,5-dimethyl-5-(10-phenyldecyl)dioxolan-3-yl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]([C@@H](C)[C@H](C(C)C)O)O

DOS

IR

Vibrations