Geometry & MOs

Info

ID:

317864

PubChem CID:

126646572

Reduced:

ClFNO8H25C27 (1)

Stoich.:

ABCD8E25F27 (1)

Weight, g/mol:

654.187224

ΔHf, kcal/mol:

-327.7

Dipole, Da:

5.46

IP(EA), eV:

 -9.4(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-1-[3-methoxy-4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]oxymethyl]phenyl]-3-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]urea

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)F)O[C@H]4CO[C@H]5[C@@H]4OC[C@@H]5OC(=O)CCl

DOS

IR

Vibrations