Geometry & MOs

Info

ID:	173652
PubChem CID:	75666769
Reduced:	O4N5C17H23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	388.125692
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	10.21
IP(EA), eV:	-9.66(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=NC(=O)N=C2C=C1)N(C)CC(=O)NCCCOC

DOS

IR

Vibrations