Geometry & MOs

Info

ID:	243285
PubChem CID:	99218183
Reduced:	ClFSN3O3H19C20 (1)
Stoich.:	ABCD3E3F19G20 (1)
Weight, g/mol:	435.081969
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	8.89
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aS,7aS)-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

C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations