Geometry & MOs

Info

ID:	402774
PubChem CID:	135057212
Reduced:	SN2O3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	243.034833
ΔH_f, kcal/mol:	-80.79
Dipole, Da:	4.16
IP(EA), eV:	-9.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2,2,5-trichloropentan-1-imine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=CN=C3S2)OCC(=O)O

DOS

IR

Vibrations