Geometry & MOs

Info

ID:	431816
PubChem CID:	135171922
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	547.189867
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	5.7
IP(EA), eV:	-8.57(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-methylpropyl-(1-methylsulfinylpiperidin-4-yl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)C)C2=C(C=C(C=C2)C(C)CC(=O)OC)N

DOS

IR

Vibrations