Geometry & MOs

Info

ID:

434778

PubChem CID:

135175697

Reduced:

ClSF3N3O4C35H35 (1)

Stoich.:

ABC3D3E4F35G35 (1)

Weight, g/mol:

600.125054

ΔHf, kcal/mol:

-251.43

Dipole, Da:

11.57

IP(EA), eV:

 -9.25(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-chloro-2-[6-(1,1-difluoropropyl)pyridin-3-yl]-5-[[1-[2-fluoro-4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4CC[C@@H]([C@H](C4)F)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F

DOS

IR

Vibrations