Geometry & MOs

Info

ID:	431768
PubChem CID:	135171874
Reduced:	F3O3N4C25H33 (1)
Stoich.:	A3B3C4D25E33 (1)
Weight, g/mol:	472.250812
ΔH_f, kcal/mol:	-244.9
Dipole, Da:	6.92
IP(EA), eV:	-8.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations