Geometry & MOs

Info

ID:	213989
PubChem CID:	81065626
Reduced:	SN2O4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	274.083268
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	6.37
IP(EA), eV:	-10.0(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NS(=O)(=O)C2=CC=CC=C21

DOS

IR

Vibrations