Geometry & MOs

Info

ID:	127159
PubChem CID:	50993129
Reduced:	OC3H4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	587.255058
ΔH_f, kcal/mol:	-245.8
Dipole, Da:	6.11
IP(EA), eV:	-9.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-trimethylsilylethyl 3-[3-[(1S,8S)-10,10-dimethoxy-5-methyl-4,9-dioxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]-2,4-dihydroxybenzoate

Drug info:

PubChemData

Smile

CC1(C2C[C@@H]3CC[C@@]2(C=CC1=O)C(C3=O)(OC)OC)CCC(=O)O

DOS

IR

Vibrations