Geometry & MOs

Info

ID:	213942
PubChem CID:	81065575
Reduced:	SN3O4C11H19 (1)
Stoich.:	AB3C4D11E19 (1)
Weight, g/mol:	301.236542
ΔH_f, kcal/mol:	-158.09
Dipole, Da:	5.82
IP(EA), eV:	-9.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[di(propan-2-yl)amino]ethylcarbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=CN(C=N1)CC

DOS

IR

Vibrations