Geometry & MOs

Info

ID:

49872

PubChem CID:

11534061

Reduced:

SiO4C33H60 (1)

Stoich.:

AB4C33D60 (1)

Weight, g/mol:

513.00857

ΔHf, kcal/mol:

-263.62

Dipole, Da:

6.05

IP(EA), eV:

 -8.53(0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-3-[2-(3-aminopropoxy)-3,5-dibromophenyl]-2-hydroxyimino-N-(2-phenylethyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(CCC(C)C)O)[C@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)O)O

DOS

IR

Vibrations