Geometry & MOs

Info

ID:	222495
PubChem CID:	85300920
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	344.144616
ΔH_f, kcal/mol:	-148.43
Dipole, Da:	2.81
IP(EA), eV:	-9.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(benzenesulfinyl)-2-benzylcyclopropyl]butane-1,2-diol

Drug info:

PubChemData

Smile

CC(=C)C1CC2C3(C(=C(CC=C3C1(C)CCC=O)C(=O)OC)CO2)C

DOS

IR

Vibrations