Geometry & MOs

Info

ID:	160550
PubChem CID:	57389017
Reduced:	F3O3N4C25H25 (1)
Stoich.:	A3B3C4D25E25 (1)
Weight, g/mol:	503.178039
ΔH_f, kcal/mol:	-223.78
Dipole, Da:	5.0
IP(EA), eV:	-9.56(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[1-[2-[4-(trifluoromethoxy)phenyl]pyrimidin-5-yl]butylamino]pyridine-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCC(C1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)NC3=NC=C(C=N3)C(=O)NCCC(=O)O

DOS

IR

Vibrations