Geometry & MOs

Info

ID:

436350

PubChem CID:

135199219

Reduced:

N2O5C24H32 (1)

Stoich.:

A2B5C24D32 (1)

Weight, g/mol:

649.230017

ΔHf, kcal/mol:

-199.1

Dipole, Da:

1.07

IP(EA), eV:

 -9.14(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-14-[4-[5-(10-methyl-9H-1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),7,11,14,16,18,20-nonaene

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C1=CC=CC=C1C)[C@H](C)OC(=O)[C@H](C)NC(=O)C2=NC=CC(=C2O)OC

DOS

IR

Vibrations