Geometry & MOs

Info

ID:	57997
PubChem CID:	24398176
Reduced:	ClN2O2S2C17H17 (1)
Stoich.:	AB2C2D2E17F17 (1)
Weight, g/mol:	407.016511
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	4.47
IP(EA), eV:	-9.01(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NC3=NC(=CS3)C4=CC=C(S4)Cl

DOS

IR

Vibrations