Geometry & MOs

Info

ID:	222877
PubChem CID:	85332863
Reduced:	O7C34H54 (1)
Stoich.:	A7B34C54 (1)
Weight, g/mol:	575.116224
ΔH_f, kcal/mol:	-297.39
Dipole, Da:	6.29
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-6-[(2-phenylsulfanylacetyl)amino]hexanoate

Drug info:

PubChemData

Smile

CC1(CCC23CCC4(C(C2C1OC3)CCC5C4(CCC6C5(CC(C(=O)C6(C)C)OC(=O)OCC(CO)O)C)C)C)C

DOS

IR

Vibrations