Geometry & MOs

Info

ID:

307104

PubChem CID:

125267588

Reduced:

SO3N4C19H22 (1)

Stoich.:

AB3C4D19E22 (1)

Weight, g/mol:

567.114331

ΔHf, kcal/mol:

-108.22

Dipole, Da:

3.95

IP(EA), eV:

 -8.03(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-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]1NC(=C(S1)C(=O)N2CCC(CC2)N3C(=O)C4=CC=CC=C4NC3=O)C

DOS

IR

Vibrations