Geometry & MOs

Info

ID:	176907
PubChem CID:	76109536
Reduced:	ClSN2O7H23C25 (1)
Stoich.:	ABC2D7E23F25 (1)
Weight, g/mol:	634.386954
ΔH_f, kcal/mol:	-212.85
Dipole, Da:	4.41
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-methylpropyl) 2-[4-[4-[3-(4-pentylcyclohexyl)prop-2-enoxy]phenyl]phenyl]-1,3-dioxolane-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(C=C3)Cl)SC1)C(=O)OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations