Geometry & MOs

Info

ID:	160689
PubChem CID:	57389446
Reduced:	F3N3O3C28H30 (1)
Stoich.:	A3B3C3D28E30 (1)
Weight, g/mol:	511.208276
ΔH_f, kcal/mol:	-248.72
Dipole, Da:	3.63
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[[cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]pyridine-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations