Geometry & MOs

Info

ID:	431841
PubChem CID:	135171955
Reduced:	SF3O4N5C32H40 (1)
Stoich.:	AB3C4D5E32F40 (1)
Weight, g/mol:	466.240248
ΔH_f, kcal/mol:	-277.71
Dipole, Da:	5.88
IP(EA), eV:	-9.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N(CC(C)C)C3CCN(CC3)C(=O)OC(C)(C)C)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations