Geometry & MOs

Info

ID:	212762
PubChem CID:	81061754
Reduced:	S2N3O5C10H17 (1)
Stoich.:	A2B3C5D10E17 (1)
Weight, g/mol:	232.178693
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	10.26
IP(EA), eV:	-9.45(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC(=C(S1)NC)[N+](=O)[O-]

DOS

IR

Vibrations