Geometry & MOs

Info

ID:

379648

PubChem CID:

134453822

Reduced:

NO3C15H27 (1)

Stoich.:

AB3C15D27 (1)

Weight, g/mol:

787.221106

ΔHf, kcal/mol:

-186.51

Dipole, Da:

3.03

IP(EA), eV:

 -9.65(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

naphthalen-2-yl-phenyl-[6-(7-pyridin-3-yl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4(9),5,7,11(16),12,14,17,19,21,23-dodecaen-14-yl)naphthalen-2-yl]-sulfanylidene-lambda5-phosphane

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C(=O)O)C(=O)NCCCC(C)C

DOS

IR

Vibrations