Geometry & MOs

Info

ID:	431936
PubChem CID:	135172063
Reduced:	N3O3C24H37 (1)
Stoich.:	A3B3C24D37 (1)
Weight, g/mol:	404.224597
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	3.86
IP(EA), eV:	-8.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1COC(=N1)NC2=C(C=CC(=C2)C(C)CC(=O)O)N(CC(C)C)C3CCCCC3

DOS

IR

Vibrations