Geometry & MOs

Info

ID:	218585
PubChem CID:	85089650
Reduced:	IN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	482.09878
ΔH_f, kcal/mol:	-87.16
Dipole, Da:	4.16
IP(EA), eV:	-8.58(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-1-iodo-10-methylundecan-5-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(CN(CCC1=CNC2=CC=CC=C21)C(=O)C=CC(=O)OCC)CI

DOS

IR

Vibrations