Geometry & MOs

Info

ID:	1350
PubChem CID:	4216
Reduced:	ISN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	416.00555
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	4.73
IP(EA), eV:	-8.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-iodonaphthalen-1-yl)sulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I

DOS

IR

Vibrations