Geometry & MOs

Info

ID:	180398
PubChem CID:	76627914
Reduced:	NPO6C10H13 (2)
Stoich.:	ABC6D10E13 (2)
Weight, g/mol:	715.187054
ΔH_f, kcal/mol:	-500.96
Dipole, Da:	3.25
IP(EA), eV:	-9.6(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

beryllium;6-(5-phenyl-1H-benzo[e][1,3]benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCOP(=O)([O-])OP(=O)([O-])OCC1C2C(C(O1)N3CCC(=O)NC3=O)OC(O2)CC4=CC=CC=C4

DOS

IR

Vibrations