Geometry & MOs

Info

ID:

169425

PubChem CID:

75103263

Reduced:

ClNSF3O3C21H21 (1)

Stoich.:

ABCD3E3F21G21 (1)

Weight, g/mol:

911.182442

ΔHf, kcal/mol:

-258.44

Dipole, Da:

3.23

IP(EA), eV:

 -9.15(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;1-[[2-(4-cyanophenyl)-1-[4-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C1CCC(=O)N(C1)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations