Geometry & MOs

Info

ID:	78607
PubChem CID:	49700787
Reduced:	O2S3N7C17H23 (1)
Stoich.:	A2B3C7D17E23 (1)
Weight, g/mol:	341.098017
ΔH_f, kcal/mol:	18.05
Dipole, Da:	6.11
IP(EA), eV:	-8.94(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NC4CCCC4

DOS

IR

Vibrations