Geometry & MOs

Info

ID:	211885
PubChem CID:	81055057
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	246.157957
ΔH_f, kcal/mol:	-64.52
Dipole, Da:	6.21
IP(EA), eV:	-9.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-[methyl(2-propan-2-yloxyethyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=CSC(=N1)C(C)N

DOS

IR

Vibrations