Geometry & MOs

Info

ID:	354227
PubChem CID:	127286191
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	396.16314
ΔH_f, kcal/mol:	-158.21
Dipole, Da:	3.24
IP(EA), eV:	-8.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)NC2=CC3=C(C=C2)NC(=O)CO3

DOS

IR

Vibrations