Geometry & MOs

Info

ID:	187490
PubChem CID:	77580225
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	640.382263
ΔH_f, kcal/mol:	-68.01
Dipole, Da:	4.81
IP(EA), eV:	-9.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15-yl) 2,3,4,5,6,7-hexahydroxyheptanoate

Drug info:

PubChemData

Smile

CC1(CCC2C1(CCC3C2CC(=CO)C4=CC(=O)CCC34)C)C#N

DOS

IR

Vibrations