Geometry & MOs

Info

ID:	249200
PubChem CID:	103087676
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	16.42
Dipole, Da:	8.39
IP(EA), eV:	-8.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-methylsulfanylbutylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NN=CO2)NCCCCSC

DOS

IR

Vibrations