Geometry & MOs

Info

ID:	264114
PubChem CID:	103429388
Reduced:	SN3O3H11C12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-56.2
Dipole, Da:	7.15
IP(EA), eV:	-9.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2-[2-(2-methylpropoxy)ethylcarbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)C(=O)O)C(=O)NC2=NN=CS2

DOS

IR

Vibrations