Geometry & MOs

Info

ID:	387643
PubChem CID:	134986280
Reduced:	N2Cl3C7H12 (1)
Stoich.:	A2B3C7D12 (1)
Weight, g/mol:	183.951641
ΔH_f, kcal/mol:	1.57
Dipole, Da:	2.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776950
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-2-methyl-3-methylsulfanylprop-2-enoyl chloride

Drug info:

PubChemData

Smile

CN(C)/C(=C(/C(=[N+](C)C)Cl)\Cl)/Cl

DOS

IR

Vibrations