Geometry & MOs

Info

ID:	431868
PubChem CID:	135171989
Reduced:	SO2N4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	445.276299
ΔH_f, kcal/mol:	-21.05
Dipole, Da:	5.76
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC2=C(C=CC(=C2)C3=CC=CC=C3C(=O)O)N(CC(C)C)CC(C)C

DOS

IR

Vibrations