Geometry & MOs

Info

ID:	261820
PubChem CID:	103252936
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	-149.86
Dipole, Da:	3.81
IP(EA), eV:	-9.55(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCNCC1=CSC(=N1)C(=O)O

DOS

IR

Vibrations