Geometry & MOs

Info

ID:	283754
PubChem CID:	104004044
Reduced:	BrClON2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	280.091535
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	5.66
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-2-(2-methylsulfanylpropylcarbamoylamino)butanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)C1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations