Geometry & MOs

Info

ID:	431919
PubChem CID:	135172046
Reduced:	SF3O3N4C25H37 (1)
Stoich.:	AB3C3D4E25F37 (1)
Weight, g/mol:	594.215747
ΔH_f, kcal/mol:	-263.12
Dipole, Da:	7.57
IP(EA), eV:	-8.88(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[4-[2-methylpropyl(5-methylsulfonyloxypentyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C)C1=CC(=C(C=C1)N(CCCCCOC)CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations