Geometry & MOs

Info

ID:	329477
PubChem CID:	126737271
Reduced:	NO2C25H51 (1)
Stoich.:	AB2C25D51 (1)
Weight, g/mol:	422.194068
ΔH_f, kcal/mol:	-199.15
Dipole, Da:	3.26
IP(EA), eV:	-9.68(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,6R,10S,13S,14R,15R)-1,2,6,13-tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCCCCCC)COCCCNC(=O)C

DOS

IR

Vibrations