Geometry & MOs

Info

ID:

389180

PubChem CID:

134991404

Reduced:

NSF4O4C10H15 (1)

Stoich.:

ABC4D4E10F15 (1)

Weight, g/mol:

850.418976

ΔHf, kcal/mol:

-359.34

Dipole, Da:

15.54

IP(EA), eV:

 -10.43(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(6Z)-2,4-ditert-butyl-6-[[2-[[(1S)-1-(2-hydroxyphenyl)-2-(1H-imidazol-5-yl)ethyl]-methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;manganese;tetraphenylboranuide

Drug info:

PubChemData

Smile

C[N+]1([C@@H]2CC[C@H]1C(=O)C(C2)F)C.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations