Geometry & MOs

Info

ID:

234348

PubChem CID:

92298235

Reduced:

FSO2N3H20C27 (1)

Stoich.:

ABC2D3E20F27 (1)

Weight, g/mol:

576.294785

ΔHf, kcal/mol:

-7.6

Dipole, Da:

5.34

IP(EA), eV:

 -8.7(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-methylcyclohexylidene)amino]-4-[[(2S,3R)-3-[4-[[(4-methylcyclohexylidene)amino]carbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide

Drug info:

PubChemData

Smile

CC1=C([C@H](N2C(=O)/C(=C/C3=CC=CC=C3F)/SC2=N1)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations