Geometry & MOs

Info

ID:	81735
PubChem CID:	49855070
Reduced:	OCl2N2C24H28 (1)
Stoich.:	AB2C2D24E28 (1)
Weight, g/mol:	656.316509
ΔH_f, kcal/mol:	2.71
Dipole, Da:	6.96
IP(EA), eV:	-8.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[[10,12-dioxo-12-[[(3S)-2-oxooxolan-3-yl]amino]dodecyl]disulfanyl]-3-oxo-N-(2-oxooxolan-3-yl)dodecanamide

Drug info:

PubChemData

Smile

CCN1CC2C(C2(C1)C3=CC=C(C=C3)N4CCCC4)COC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations