Geometry & MOs

Info

ID:	213221
PubChem CID:	81063196
Reduced:	BrFNO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	349.03062
ΔH_f, kcal/mol:	-155.63
Dipole, Da:	3.96
IP(EA), eV:	-9.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)/C=C/C1=C(C=CC(=C1)Br)F

DOS

IR

Vibrations