Geometry & MOs

Info

ID:	229853
PubChem CID:	87569368
Reduced:	FSO3N7C18H18 (1)
Stoich.:	ABC3D7E18F18 (1)
Weight, g/mol:	497.246061
ΔH_f, kcal/mol:	-25.9
Dipole, Da:	6.56
IP(EA), eV:	-8.95(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=C(C=C(C=C2)N3CC(OC3=O)CNC(=S)OC)F)N4C=CC=N4

DOS

IR

Vibrations