Geometry & MOs

Info

ID:	262082
PubChem CID:	103268895
Reduced:	BrNF2O3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	-190.94
Dipole, Da:	5.06
IP(EA), eV:	-9.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(thiolan-3-ylamino)methyl]benzoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)NC1=CC(=C(C=C1F)F)Br

DOS

IR

Vibrations