Geometry & MOs

Info

ID:	412555
PubChem CID:	135085451
Reduced:	AuClN2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	1094.245033
ΔH_f, kcal/mol:	74.97
Dipole, Da:	10.25
IP(EA), eV:	-9.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;10,16-bis(4-methylphenyl)-13-oxido-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N[C]NC.Cl[Au]

DOS

IR

Vibrations