Geometry & MOs

Info

ID:

427385

PubChem CID:

135158010

Reduced:

O2N3C23H33 (1)

Stoich.:

A2B3C23D33 (1)

Weight, g/mol:

2382.075791

ΔHf, kcal/mol:

-44.32

Dipole, Da:

3.1

IP(EA), eV:

 -8.13(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-methylpropyl 4-[4-[3-[4-[4-(2-methylpropoxycarbonyl)phenyl]phenoxy]-2-[[10-[3-[4-[4-(2-methylpropoxycarbonyl)phenyl]phenoxy]-2,2-bis[[4-[4-(2-methylpropoxycarbonyl)phenyl]phenoxy]methyl]propyl]-2,7-bis[4-(N-phenylanilino)phenyl]-4,9,10,11-tetraza-5-azanidatricyclo[6.3.0.03,6]undeca-1(11),2,6,8-tetraen-4-yl]methyl]-2-[[4-[4-(2-methylpropoxycarbonyl)phenyl]phenoxy]methyl]propoxy]phenyl]benzoate

Drug info:

PubChemData

Smile

CCN(C1=CC2=C(C=C1)C(CCC2(C)C)(C)C)/C(=C/N=C(C)C(=O)OC)/N=C

DOS

IR

Vibrations