Geometry & MOs

Info

ID:	224894
PubChem CID:	85629918
Reduced:	BrFNC16H17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	352.076279
ΔH_f, kcal/mol:	-7.27
Dipole, Da:	1.59
IP(EA), eV:	-8.27(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-[[2-carboxy-2-(2-methylpropanoylamino)ethyl]disulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=C(C=CC(=C2)CCCBr)F

DOS

IR

Vibrations