Geometry & MOs

Info

ID:	209959
PubChem CID:	80743249
Reduced:	N2S2O3C11H18 (1)
Stoich.:	A2B2C3D11E18 (1)
Weight, g/mol:	328.064841
ΔH_f, kcal/mol:	-147.97
Dipole, Da:	3.68
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[(2-methylthiolan-2-yl)methylcarbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1(CCCS1)CNC(=O)N2CSCC2C(=O)O

DOS

IR

Vibrations