Geometry & MOs

Info

ID:	297906
PubChem CID:	117636443
Reduced:	N7O16C36H61 (1)
Stoich.:	A7B16C36D61 (1)
Weight, g/mol:	268.24023
ΔH_f, kcal/mol:	-762.92
Dipole, Da:	8.4
IP(EA), eV:	-10.15(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,13-trimethyltetradecane-3,12-dione

Drug info:

PubChemData

Smile

CC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCC(=O)O

DOS

IR

Vibrations