Geometry & MOs

Info

ID:	449145
PubChem CID:	135296345
Reduced:	FSO2N8C20H23 (1)
Stoich.:	ABC2D8E20F23 (1)
Weight, g/mol:	407.07059
ΔH_f, kcal/mol:	-19.73
Dipole, Da:	7.7
IP(EA), eV:	-8.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-formyl-2-(1-iodo-4-methylpiperidin-4-yl)-N-(2-oxopiperidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)CO

DOS

IR

Vibrations