Geometry & MOs

Info

ID:	220553
PubChem CID:	85197749
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	328.127051
ΔH_f, kcal/mol:	-136.66
Dipole, Da:	7.3
IP(EA), eV:	-9.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CCCCN(CC1=CSC(=N1)C(C)C)C(=O)NC(C)C(=O)O

DOS

IR

Vibrations