Geometry & MOs

Info

ID:	431898
PubChem CID:	135172019
Reduced:	O3N5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	424.13359
ΔH_f, kcal/mol:	-57.75
Dipole, Da:	6.06
IP(EA), eV:	-8.75(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations