Geometry & MOs

Info

ID:	390607
PubChem CID:	134999965
Reduced:	PN2O6H18C23 (2)
Stoich.:	AB2C6D18E23 (2)
Weight, g/mol:	240.136159
ΔH_f, kcal/mol:	-368.55
Dipole, Da:	7.05
IP(EA), eV:	-9.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,4-dimethyl-3-oxo-2-(3-oxocyclopentyl)pentanoate

Drug info:

Smile

C1CC(=O)N2[C@H](P([C@@H](N2C1=O)C3=CC=CC=C3C(=O)O)C4=CC(=CC=C4)P5[C@@H](N6C(=O)CCC(=O)N6[C@H]5C7=CC=CC=C7C(=O)O)C8=CC=CC=C8C(=O)O)C9=CC=CC=C9C(=O)O

DOS

IR

Vibrations