Geometry & MOs

Info

ID:

376001

PubChem CID:

134222000

Reduced:

NO7C34H37 (1)

Stoich.:

AB7C34D37 (1)

Weight, g/mol:

649.93649

ΔHf, kcal/mol:

-256.92

Dipole, Da:

6.7

IP(EA), eV:

 -8.49(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-bromo-N'-methyl-N'-(3,3,3-trifluoropropanoyl)-4-[(E)-4,4,4-trifluoro-3-[(2E,4Z)-3,4,5-trichlorocycloocta-2,4-dien-7-yn-1-yl]but-1-enyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C4C(=CC=C3)OCCO4)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C5=C(C6=C(C=C5)OCCC6)C

DOS

IR

Vibrations