Geometry & MOs

Info

ID:	246661
PubChem CID:	103064534
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	4.66
IP(EA), eV:	-8.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-2-(thiolan-3-ylamino)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)N)NC2CCSC2

DOS

IR

Vibrations