Geometry & MOs

Info

ID:	176561
PubChem CID:	76066382
Reduced:	ClSO2N6C23H25 (1)
Stoich.:	ABC2D6E23F25 (1)
Weight, g/mol:	405.187484
ΔH_f, kcal/mol:	49.8
Dipole, Da:	12.26
IP(EA), eV:	-8.6(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[3-[(2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]pyrrol-1-yl)methyl]phenyl]methyl]phenyl]-1,2,4-thiadiazolidin-5-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(S1)C(C2NNNN2)NC(=O)NC3=CC=CC(=C3)C)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations