Geometry & MOs

Info

ID:	338322
PubChem CID:	127259014
Reduced:	ClON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	133.01975
ΔH_f, kcal/mol:	-43.95
Dipole, Da:	3.07
IP(EA), eV:	-9.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methylcarbamothioyl acetate

Drug info:

PubChemData

Smile

CC1(C2CCC1(/C(=C(/C(=O)NN)\Cl)/C2)C)C

DOS

IR

Vibrations