Geometry & MOs

Info

ID:	376636
PubChem CID:	134222657
Reduced:	FO3N4C32H37 (1)
Stoich.:	AB3C4D32E37 (1)
Weight, g/mol:	534.246476
ΔH_f, kcal/mol:	-121.68
Dipole, Da:	1.41
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCC(CC1)CC(=O)NC2=NC=C(C(=C2)C3=CC=CC=C3F)C4=CC=C(C=C4)C5(CCC5)N)C(=O)OC

DOS

IR

Vibrations