Geometry & MOs

Info

ID:	298511
PubChem CID:	117650452
Reduced:	S2N6O9C24H26 (1)
Stoich.:	A2B6C9D24E26 (1)
Weight, g/mol:	131.094629
ΔH_f, kcal/mol:	-230.91
Dipole, Da:	7.79
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(methylamino)pentan-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1N=NC2=CC(=C(C(=C2N)N=NC3=C(C=CC(=C3)S(=O)(=O)CCO)OC)N)S(=O)(=O)O

DOS

IR

Vibrations