Geometry & MOs

Info

ID:	37005
PubChem CID:	8016058
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	414.155277
ΔH_f, kcal/mol:	-243.2
Dipole, Da:	6.38
IP(EA), eV:	-9.15(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-[[2-[(5,5-dimethyl-16-oxo-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-9-yl)oxy]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)O)NC(=O)CC1=C(C2=C(C=C(C3=C2OC=C3C)C)OC1=O)C

DOS

IR

Vibrations