Geometry & MOs

Info

ID:	379882
PubChem CID:	134963567
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	229.009491
ΔH_f, kcal/mol:	-71.15
Dipole, Da:	2.0
IP(EA), eV:	-9.89(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl (2S,4S)-2-amino-5,5-dichloro-4-methylpentanethioate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CCCC[C@@H]1C=C=C

DOS

IR

Vibrations