Geometry & MOs

Info

ID:

307107

PubChem CID:

125267597

Reduced:

NOC9H12 (2)

Stoich.:

ABC9D12 (2)

Weight, g/mol:

567.114331

ΔHf, kcal/mol:

-44.46

Dipole, Da:

3.22

IP(EA), eV:

 -8.89(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-[2-[(2Z)-2-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]-2H-1,3,4-thiadiazol-5-ylidene]-2-methylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CC(=O)[C@H]2C=NC3=C2C=CC(=C3)OC)C

DOS

IR

Vibrations