Geometry & MOs

Info

ID:	386335
PubChem CID:	134981434
Reduced:	OC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	222.021435
ΔH_f, kcal/mol:	-72.38
Dipole, Da:	1.79
IP(EA), eV:	-9.43(2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,4S,5S)-4-(chloromethyl)-3-(chloromethylidene)-5-propan-2-yloxolan-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2CC[C@@]1(OC2(C)C)C

DOS

IR

Vibrations