Geometry & MOs

Info

ID:	125310
PubChem CID:	50919328
Reduced:	Cl2N10O33C95H102 (1)
Stoich.:	A2B10C33D95E102 (1)
Weight, g/mol:	273.097299
ΔH_f, kcal/mol:	-1201.4
Dipole, Da:	22.15
IP(EA), eV:	-7.83(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

azanide;cobalt(3+);propanoyloxidanium

Drug info:

Smile

CC(C)CCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC(=C(O3)C=C2)Cl)C(=O)N1)N)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)Cl)C(=O)NCC1=CC=CC=C1)O)O

DOS

IR

Vibrations