Geometry & MOs

Info

ID:

379538

PubChem CID:

134441807

Reduced:

ClN2F3C32H34 (1)

Stoich.:

AB2C3D32E34 (1)

Weight, g/mol:

604.01445

ΔHf, kcal/mol:

-95.38

Dipole, Da:

4.97

IP(EA), eV:

 -8.35(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[1-[2-chloro-5-[2,2-dichloro-3-[3-methyl-5-(pentafluoro-lambda6-sulfanyl)phenyl]cyclopropyl]phenyl]ethenyl]-2,4-difluorobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=C)C2=C(C=CC(=C2)NC(=C)C3C(C3(C)Cl)C4=CC(=C(C(=C4)C)C)C(C)(F)F)C)F

DOS

IR

Vibrations