Geometry & MOs

Info

ID:	160783
PubChem CID:	57389761
Reduced:	F3N3O4C27H28 (1)
Stoich.:	A3B3C4D27E28 (1)
Weight, g/mol:	509.198442
ΔH_f, kcal/mol:	-282.98
Dipole, Da:	1.67
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[[3-methyl-1-[4-(4-methylsulfonylphenyl)phenyl]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)OC(F)(F)F)NC3=NC=C(C=C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations