Geometry & MOs

Info

ID:	243284
PubChem CID:	99218182
Reduced:	ClFOSN6H16C21 (1)
Stoich.:	ABCDE6F16G21 (1)
Weight, g/mol:	435.081969
ΔH_f, kcal/mol:	44.31
Dipole, Da:	3.48
IP(EA), eV:	-9.1(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations