Geometry & MOs

Info

ID:	431926
PubChem CID:	135172053
Reduced:	SF3O3N4C24H35 (1)
Stoich.:	AB3C3D4E24F35 (1)
Weight, g/mol:	516.238197
ΔH_f, kcal/mol:	-273.04
Dipole, Da:	10.9
IP(EA), eV:	-8.76(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[4-[5-hydroxypentyl(2-methylpropyl)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(CCCCCO)CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations