Geometry & MOs

Info

ID:	46932
PubChem CID:	10528487
Reduced:	ClSO2N5H16C24 (1)
Stoich.:	ABC2D5E16F24 (1)
Weight, g/mol:	474.288266
ΔH_f, kcal/mol:	66.0
Dipole, Da:	5.35
IP(EA), eV:	-8.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-carboxy-3-methylbutyl]-[2-(dioctylamino)acetyl]azanide;copper(1+)

Drug info:

PubChemData

Smile

C1C(=O)N(C2(S1)C3=C(C(=CC=C3)Cl)NC2=O)NC4=C(C=C5C=CC=NC5=N4)C6=CC=CC=C6

DOS

IR

Vibrations