Geometry & MOs

Info

ID:	227068
PubChem CID:	87560014
Reduced:	ClLiSN2O3H4C8 (1)
Stoich.:	ABCD2E3F4G8 (1)
Weight, g/mol:	384.419198
ΔH_f, kcal/mol:	-92.92
Dipole, Da:	10.99
IP(EA), eV:	-9.99(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexan-3-yl-N'-[2-(hexan-3-ylamino)ethyl]-N'-[(hexan-3-ylamino)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

[Li+].C1=CC=C2C(=C1)N=C(C(=N2)Cl)S(=O)(=O)[O-]

DOS

IR

Vibrations