Geometry & MOs

Info

ID:	78608
PubChem CID:	49700794
Reduced:	O2S2N5C13H19 (1)
Stoich.:	A2B2C5D13E19 (1)
Weight, g/mol:	421.087846
ΔH_f, kcal/mol:	-11.19
Dipole, Da:	4.81
IP(EA), eV:	-8.89(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CNC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations