Geometry & MOs

Info

ID:

180066

PubChem CID:

76570947

Reduced:

ON4C21H30 (1)

Stoich.:

AB4C21D30 (1)

Weight, g/mol:

717.206707

ΔHf, kcal/mol:

-17.01

Dipole, Da:

3.13

IP(EA), eV:

 -8.84(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[2-[3-[1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazol-3-yl]prop-2-enoyl]hydrazinyl]-6-oxohexyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC1CC(N=C2N1NCC2C(=O)NCC3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations