Geometry & MOs

Info

ID:	79933
PubChem CID:	49831509
Reduced:	ClSN3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	204.091708
ΔH_f, kcal/mol:	69.8
Dipole, Da:	2.07
IP(EA), eV:	-8.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2S)-2-chloronon-3-enoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCNC2=CC3=C(NC=C3Cl)N=C2

DOS

IR

Vibrations