Geometry & MOs

Info

ID:

163105

PubChem CID:

57641417

Reduced:

NO2H23C35 (1)

Stoich.:

AB2C23D35 (1)

Weight, g/mol:

1152.486609

ΔHf, kcal/mol:

73.65

Dipole, Da:

4.39

IP(EA), eV:

 -8.01(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-tert-butyl-2-[4-(N-[4-[1-(N-[4-(8-tert-butyl-3-oxobenzo[f]chromen-2-yl)phenyl]anilino)phenanthren-4-yl]naphthalen-1-yl]anilino)phenyl]-1-methylbenzo[f]chromen-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)C6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations