Geometry & MOs

Info

ID:	432043
PubChem CID:	135172175
Reduced:	NOC14H29 (1)
Stoich.:	ABC14D29 (1)
Weight, g/mol:	416.149382
ΔH_f, kcal/mol:	-88.6
Dipole, Da:	3.06
IP(EA), eV:	-8.36(2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)N(CC(C)C)C1CCOCC1

DOS

IR

Vibrations