Geometry & MOs

Info

ID:

215569

PubChem CID:

85084918

Reduced:

O10N15C50H73 (1)

Stoich.:

A10B15C50D73 (1)

Weight, g/mol:

1044.041304

ΔHf, kcal/mol:

-393.27

Dipole, Da:

7.77

IP(EA), eV:

 -9.28(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1,1,1,3,3,3-hexafluoro-2-[4-[1,1,1,6,6,6-hexafluoro-5-methoxy-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]oxyphenyl]propan-2-yl]-4-[1,1,1,6,6,6-hexafluoro-5-methoxy-3,4-bis(trifluoromethyl)hexa-2,4-dien-2-yl]oxybenzene

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations