Geometry & MOs

Info

ID:	431930
PubChem CID:	135172057
Reduced:	N3O4C26H37 (1)
Stoich.:	A3B4C26D37 (1)
Weight, g/mol:	458.235162
ΔH_f, kcal/mol:	-150.89
Dipole, Da:	4.35
IP(EA), eV:	-8.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=CN=C(C=C3)COC

DOS

IR

Vibrations