Geometry & MOs

Info

ID:	213011
PubChem CID:	81062496
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	218.163043
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	6.84
IP(EA), eV:	-9.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C=C1)S(=O)(=O)N(C)CCOCC

DOS

IR

Vibrations