Geometry & MOs

Info

ID:	173027
PubChem CID:	75585964
Reduced:	N2S2O9C15H30 (1)
Stoich.:	A2B2C9D15E30 (1)
Weight, g/mol:	533.160068
ΔH_f, kcal/mol:	-433.18
Dipole, Da:	7.68
IP(EA), eV:	-9.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-ethoxy-2,2-dimethyl-4-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-5-oxopentoxy]sulfonylpropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(C)(C)COS(=O)(=O)CCCS(=O)(=O)O)C(=O)O)N

DOS

IR

Vibrations