Geometry & MOs

Info

ID:	78601
PubChem CID:	49700724
Reduced:	ClO2S2N5C18H28 (1)
Stoich.:	AB2C2D5E18F28 (1)
Weight, g/mol:	431.144967
ΔH_f, kcal/mol:	-64.86
Dipole, Da:	7.29
IP(EA), eV:	-9.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-benzoylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

CC(C)(CCl)C(=O)N1CCN(CC1)C2=NN=C(S2)SCC(=O)NC3CCCC3

DOS

IR

Vibrations