Geometry & MOs

Info

ID:	148271
PubChem CID:	53787933
Reduced:	N2S2O4C19H28 (1)
Stoich.:	A2B2C4D19E28 (1)
Weight, g/mol:	539.445078
ΔH_f, kcal/mol:	-150.59
Dipole, Da:	6.58
IP(EA), eV:	-9.17(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-aminoethylamino)ethyl-[[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]methyl]amino]methyl]-4-(2-methylheptan-2-yl)phenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)SC(=N2)S(=O)(=O)N

DOS

IR

Vibrations