Geometry & MOs

Info

ID:

224717

PubChem CID:

85348008

Reduced:

TiN4C41H42 (1)

Stoich.:

AB4C41D42 (1)

Weight, g/mol:

1032.56885

ΔHf, kcal/mol:

190.86

Dipole, Da:

6.25

IP(EA), eV:

 -8.33(-3.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[1-[[4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[(dibutylamino)methylideneamino]purin-9-yl]oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1.CC1=CC=C(C=C1)[C]([N]C2CCCCC2[N][C](C3=CC=C(C=C3)C)[N]C4=CC=CC=C4)[N]C5=CC=CC=C5.[Ti+2]

DOS

IR

Vibrations