Geometry & MOs

Info

ID:	48896
PubChem CID:	11528448
Reduced:	ClSN2O2H3C4 (1)
Stoich.:	ABC2D2E3F4 (1)
Weight, g/mol:	179.10256
ΔH_f, kcal/mol:	-30.4
Dipole, Da:	7.37
IP(EA), eV:	-11.15(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S)-1,2,3-trideuterio-2-phenylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)S(=O)(=O)Cl

DOS

IR

Vibrations