Geometry & MOs

Info

ID:	37027
PubChem CID:	8016274
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	400.139627
ΔH_f, kcal/mol:	-21.46
Dipole, Da:	0.86
IP(EA), eV:	-8.48(-0.28)
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]acetate

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC2=C([C@@]13C4=CC=CC=C4NC3=O)NC5=CC=CC=C25

DOS

IR

Vibrations