Geometry & MOs

Info

ID:

431695

PubChem CID:

135171791

Reduced:

PN3O7C26H34 (1)

Stoich.:

AB3C7D26E34 (1)

Weight, g/mol:

592.21133

ΔHf, kcal/mol:

-310.47

Dipole, Da:

6.49

IP(EA), eV:

 -8.95(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-(dimethylsulfamoyl)-3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanamide

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)OC(C)(C)C)C3=CN=C(N=C3)C)OCC

DOS

IR

Vibrations