Geometry & MOs

Info

ID:	209012
PubChem CID:	80612662
Reduced:	SN2F3O3C11H17 (1)
Stoich.:	AB2C3D3E11F17 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-302.81
Dipole, Da:	7.8
IP(EA), eV:	-9.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(thian-2-ylmethylcarbamoylamino)benzoic acid

Drug info:

PubChemData

Smile

C1CCSC(C1)CNC(=O)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations