Geometry & MOs

Info

ID:

321507

PubChem CID:

126666455

Reduced:

S2O3N4C29H36 (1)

Stoich.:

A2B3C4D29E36 (1)

Weight, g/mol:

537.173622

ΔHf, kcal/mol:

-96.99

Dipole, Da:

5.79

IP(EA), eV:

 -8.23(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(4-methoxyphenyl)-4,5-dihydroimidazol-2-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=CSC(=N2)N(C3CCCC3)C(=O)[C@@H]4C[C@H](CN4C(=O)OC(C)(C)C)C5=CC=CC=C5

DOS

IR

Vibrations