Geometry & MOs

Info

ID:	213
PubChem CID:	2321
Reduced:	NO4C16H29 (2)
Stoich.:	AB4C16D29 (2)
Weight, g/mol:	598.419317
ΔH_f, kcal/mol:	-398.74
Dipole, Da:	11.02
IP(EA), eV:	-9.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-7-oxo-6-[(3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino]azepan-3-yl] tetradecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)N(C1)C)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC

DOS

IR

Vibrations