Geometry & MOs

Info

ID:

132577

PubChem CID:

51382517

Reduced:

S2O3N6C16H19 (1)

Stoich.:

A2B3C6D16E19 (1)

Weight, g/mol:

121.977072

ΔHf, kcal/mol:

55.55

Dipole, Da:

9.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.115890

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-chloro-1,3-dioxolan-2-one

Drug info:

PubChemData

Smile

CC1NC2C3=C(N4C(=NN=C4SCC(=O)[O-])N2N1)SC5=C3CC(OC5)(C)C

DOS

IR

Vibrations