Geometry & MOs

Info

ID:	78613
PubChem CID:	49700834
Reduced:	O2S2N5C17H27 (1)
Stoich.:	A2B2C5D17E27 (1)
Weight, g/mol:	419.121645
ΔH_f, kcal/mol:	-50.19
Dipole, Da:	5.05
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(3-chloro-2,2-dimethylpropanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CNC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)CCC3CCCC3

DOS

IR

Vibrations