Geometry & MOs

Info

ID:	22639
PubChem CID:	598103
Reduced:	S2N3O4C17H23 (1)
Stoich.:	A2B3C4D17E23 (1)
Weight, g/mol:	397.112999
ΔH_f, kcal/mol:	-137.15
Dipole, Da:	6.16
IP(EA), eV:	-8.61(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-sulfosulfanylethylamino)butylcarbamoylamino]naphthalene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCCCNCCSS(=O)(=O)O

DOS

IR

Vibrations