Geometry & MOs

Info

ID:	218482
PubChem CID:	85089519
Reduced:	N2S2O6C21H32 (1)
Stoich.:	A2B2C6D21E32 (1)
Weight, g/mol:	472.35526
ΔH_f, kcal/mol:	-249.68
Dipole, Da:	7.24
IP(EA), eV:	-8.61(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,14,19,19-pentamethyl-17-oxo-8-propan-2-yl-18-oxapentacyclo[11.9.0.02,10.05,9.014,20]docosane-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC12CCC3C(C1CCCC2S(=O)(=O)N)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N

DOS

IR

Vibrations