Geometry & MOs

Info

ID:	140504
PubChem CID:	52711260
Reduced:	OSN2F3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	-159.19
Dipole, Da:	4.92
IP(EA), eV:	-9.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-benzylpiperidin-3-yl]-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3SC(F)(F)F

DOS

IR

Vibrations