Geometry & MOs

Info

ID:	84483
PubChem CID:	49866759
Reduced:	BN4O8C29H41 (1)
Stoich.:	AB4C8D29E41 (1)
Weight, g/mol:	132.921755
ΔH_f, kcal/mol:	-399.06
Dipole, Da:	7.04
IP(EA), eV:	-9.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

oxidanium;cadmium(2+)

Drug info:

PubChemData

Smile

B([C@H](CCO)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC2CCCC2)OC3=NC=CC4=CC=CC=C43)(O)O

DOS

IR

Vibrations