Geometry & MOs

Info

ID:	78620
PubChem CID:	49701044
Reduced:	ClS2O3N5C15H24 (1)
Stoich.:	AB2C3D5E15F24 (1)
Weight, g/mol:	407.08526
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	4.84
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(2-chloropropanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

COCCNC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)CCCCl

DOS

IR

Vibrations