Geometry & MOs

Info

ID:

425902

PubChem CID:

135129794

Reduced:

O2N6C21H36 (1)

Stoich.:

A2B6C21D36 (1)

Weight, g/mol:

754.416815

ΔHf, kcal/mol:

-82.29

Dipole, Da:

2.84

IP(EA), eV:

 -8.52(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[(6Z)-5-amino-4-(2-phenylpropan-2-yl)-6-sulfanyliminocyclohexa-1,3-dien-1-yl]-9-methyl-7-(2-phenylpropan-2-yl)fluoren-9-yl]propyl 2-methylhexan-2-yl carbonate

Drug info:

PubChemData

Smile

CCCC[C@H](C)OC1=NC(=C2C(=N1)N(C(=O)N2)CCCCN3CCCCC3)NC

DOS

IR

Vibrations