Geometry & MOs

Info

ID:	219228
PubChem CID:	85096616
Reduced:	N4O7C22H34 (1)
Stoich.:	A4B7C22D34 (1)
Weight, g/mol:	466.256668
ΔH_f, kcal/mol:	-324.39
Dipole, Da:	4.84
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5,9-dimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)N)NC(=O)C(C(C)O)NC(=O)OCC1=CC=C(C=C1)OC

DOS

IR

Vibrations