Geometry & MOs

Info

ID:	128539
PubChem CID:	51049479
Reduced:	SN3O5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	514.177372
ΔH_f, kcal/mol:	-154.03
Dipole, Da:	9.06
IP(EA), eV:	-9.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C(=O)N

DOS

IR

Vibrations