Geometry & MOs

Info

ID:

186752

PubChem CID:

77478699

Reduced:

FNO14C37H46 (1)

Stoich.:

ABC14D37E46 (1)

Weight, g/mol:

398.147786

ΔHf, kcal/mol:

-542.29

Dipole, Da:

9.24

IP(EA), eV:

 -9.49(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[4-oxo-3-(2-propoxyethoxycarbonyl)cyclohexa-2,5-dien-1-ylidene]methylhydrazinylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)COC(=O)OC6=C(C=C(C=C6)C(=O)OCCCCON(O)O)OC)C)O)F)C)C

DOS

IR

Vibrations