Geometry & MOs

Info

ID:	351183
PubChem CID:	127279741
Reduced:	SO2N5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	7.98
IP(EA), eV:	-8.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]-N,N-diethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CSCN1C(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations