Geometry & MOs

Info

ID:	431953
PubChem CID:	135172081
Reduced:	OS2F3N5C21H30 (1)
Stoich.:	AB2C3D5E21F30 (1)
Weight, g/mol:	429.244999
ΔH_f, kcal/mol:	-162.42
Dipole, Da:	8.14
IP(EA), eV:	-8.66(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)NS)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations