Geometry & MOs

Info

ID:	133915
PubChem CID:	51613655
Reduced:	ClSN2O5C21H25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	475.098411
ΔH_f, kcal/mol:	-173.01
Dipole, Da:	3.89
IP(EA), eV:	-9.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-2-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCOC3=CC=C(C=C3)Cl

DOS

IR

Vibrations