Geometry & MOs

Info

ID:	227072
PubChem CID:	87560052
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	273.085721
ΔH_f, kcal/mol:	0.82
Dipole, Da:	2.04
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylsulfanylbutanoic acid;phenylmethanethiol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=CC(=C2)C=O)Br

DOS

IR

Vibrations