Geometry & MOs

Info

ID:	187870
PubChem CID:	77636689
Reduced:	SO4N6C15H28 (1)
Stoich.:	AB4C6D15E28 (1)
Weight, g/mol:	478.05758
ΔH_f, kcal/mol:	-148.97
Dipole, Da:	7.49
IP(EA), eV:	-9.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[(3-iodophenyl)methylamino]-4-naphthalen-2-ylsulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=NN1)S(=O)(=O)N2CCCC(C(C2)O)NC(=O)C(CC(C)C)N

DOS

IR

Vibrations