Geometry & MOs

Info

ID:	78600
PubChem CID:	49700655
Reduced:	O2S3N5C22H23 (1)
Stoich.:	A2B3C5D22E23 (1)
Weight, g/mol:	445.137295
ΔH_f, kcal/mol:	24.23
Dipole, Da:	4.6
IP(EA), eV:	-8.83(-1.26)
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-cyclopentylacetamide

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations