Geometry & MOs

Info

ID:

435726

PubChem CID:

135192254

Reduced:

FNO2H17C18 (2)

Stoich.:

ABC2D17E18 (2)

Weight, g/mol:

804.277678

ΔHf, kcal/mol:

-186.7

Dipole, Da:

5.45

IP(EA), eV:

 -8.69(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(9Z)-11-methylidene-12-oxatetracyclo[11.8.0.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaen-10-yl]-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-2-phenanthren-9-ylpyrimidine

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C(=C1CC(=O)O)C3=C(C(=C4C(=C3C)CCCO4)F)OC(C)(C)C)C5=CC=CC(=C5)C6=CC=C(C=C6)F

DOS

IR

Vibrations