Geometry & MOs

Info

ID:	160608
PubChem CID:	57389194
Reduced:	F3O3N4C26H27 (1)
Stoich.:	A3B3C4D26E27 (1)
Weight, g/mol:	487.183124
ΔH_f, kcal/mol:	-230.52
Dipole, Da:	9.48
IP(EA), eV:	-9.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[[(1S)-1-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]butyl]amino]pyridine-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)NC3=NC=C(N=C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations