Geometry & MOs

Info

ID:	246660
PubChem CID:	103064531
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-64.88
Dipole, Da:	7.41
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-(thiolan-3-ylamino)benzoate

Drug info:

PubChemData

Smile

C1CSCC1NC2=C(C=CC=C2N)C(=O)O

DOS

IR

Vibrations