Geometry & MOs

Info

ID:	397692
PubChem CID:	135030583
Reduced:	O6H20C21 (1)
Stoich.:	A6B20C21 (1)
Weight, g/mol:	326.172939
ΔH_f, kcal/mol:	-187.74
Dipole, Da:	3.93
IP(EA), eV:	-9.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S,2R,5S,6R,9R)-1,5,11,11-tetramethyl-3,4,7,8-tetraoxatetracyclo[8.4.0.02,5.06,9]tetradecan-2-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C[C@H](C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations