Geometry & MOs

Info

ID:	127569
PubChem CID:	51006829
Reduced:	O6C21H28 (1)
Stoich.:	A6B21C28 (1)
Weight, g/mol:	388.152203
ΔH_f, kcal/mol:	-268.38
Dipole, Da:	4.29
IP(EA), eV:	-9.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,12S)-1-butyl-12-methyl-3,10,15-trioxatetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4,6,8-tetraene-13,14-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@@]12C(=O)C=C[C@](C1=O)(CCC2(C)C)C[C@@H]3C(OC(=O)O3)(C)C

DOS

IR

Vibrations