Geometry & MOs

Info

ID:	225405
PubChem CID:	85756743
Reduced:	O2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	252.118401
ΔH_f, kcal/mol:	-105.47
Dipole, Da:	4.72
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-(3-phenylsulfanylpropyl)-1,3-dioxolane

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=CC(=O)C(=O)C=C(C2=CC=C(C=C2)CC)O)O

DOS

IR

Vibrations