Geometry & MOs

Info

ID:	258611
PubChem CID:	103155611
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	-154.7
Dipole, Da:	2.83
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-amino-3-methoxybutanoyl)amino]propanoate

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC)CN

DOS

IR

Vibrations