Geometry & MOs

Info

ID:	426671
PubChem CID:	135153260
Reduced:	F3O3N4C25H35 (1)
Stoich.:	A3B3C4D25E35 (1)
Weight, g/mol:	458.235162
ΔH_f, kcal/mol:	-273.93
Dipole, Da:	9.33
IP(EA), eV:	-8.48(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NC=C(N3)C(F)(F)F

DOS

IR

Vibrations