Geometry & MOs

Info

ID:	228105
PubChem CID:	87563459
Reduced:	Cl2O4N8C69H88 (1)
Stoich.:	A2B4C8D69E88 (1)
Weight, g/mol:	283.209332
ΔH_f, kcal/mol:	-121.09
Dipole, Da:	6.25
IP(EA), eV:	-8.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CC[C@@H](CN1CC[C@H](N[C@H](C1=O)CCN2CCCCC2)CNC(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=CC=C5.CCC(CN1CCC(N[C@H](C1=O)C2CCN(CC2)C(C)C)CNC(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations