Geometry & MOs

Info

ID:	194811
PubChem CID:	78593054
Reduced:	N2O5C23H24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	414.155277
ΔH_f, kcal/mol:	-170.63
Dipole, Da:	7.94
IP(EA), eV:	-9.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

CCC1=C2C(=CC=C1)C(=CN2)C(=O)COC(=O)C(C)N3C(=O)C4CC=CCC4C3=O

DOS

IR

Vibrations