Geometry & MOs

Info

ID:

329456

PubChem CID:

126736915

Reduced:

SCl2F4O4N5C32H45 (1)

Stoich.:

AB2C4D4E5F32G45 (1)

Weight, g/mol:

414.226705

ΔHf, kcal/mol:

-415.21

Dipole, Da:

5.35

IP(EA), eV:

 -8.71(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(Z)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetohydrazide

Drug info:

PubChemData

Smile

CC(C)(C)N1C[C@H]([C@@](C1)(C(=O)N2CCC(CC2)C3=C(C=C(C=C3)C(F)(F)F)N4CCN(CC4)S(=O)(=O)N)F)C5=CC=C(C=C5)OC.Cl.Cl

DOS

IR

Vibrations