Geometry & MOs

Info

ID:	246774
PubChem CID:	103064855
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	300.97721
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	1.24
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(thiolan-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NC2CCSC2)C(=O)O

DOS

IR

Vibrations