Geometry & MOs

Info

ID:	185793
PubChem CID:	77348787
Reduced:	O3N4H30C34 (1)
Stoich.:	A3B4C30D34 (1)
Weight, g/mol:	646.352597
ΔH_f, kcal/mol:	-20.8
Dipole, Da:	5.79
IP(EA), eV:	-8.47(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[[1-(1-amino-1-oxohexadecan-3-yl)oxy-5-carboxy-1-oxopentan-2-yl]-sulfinatoamino]-5-(dimethylamino)naphthalene

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3CC4=C(CN3C(=O)C5=CC6=CC=CC=C6C=C5)NC7=CC=CC=C47

DOS

IR

Vibrations