Geometry & MOs

Info

ID:

379697

PubChem CID:

134459189

Reduced:

ON2C15H28 (1)

Stoich.:

AB2C15D28 (1)

Weight, g/mol:

693.234508

ΔHf, kcal/mol:

-62.66

Dipole, Da:

4.61

IP(EA), eV:

 -8.86(1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[(Z)-[3-(2-ethyl-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamoyl]amino]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]propyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC(C1)N(C)C2CCCCC2

DOS

IR

Vibrations