Geometry & MOs

Info

ID:	78609
PubChem CID:	49700797
Reduced:	S2O4N5C17H19 (1)
Stoich.:	A2B4C5D17E19 (1)
Weight, g/mol:	395.088595
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	5.79
IP(EA), eV:	-8.84(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(2-fluorobenzoyl)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)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations