Geometry & MOs

Info

ID:	78610
PubChem CID:	49700798
Reduced:	FO2S2N5C16H18 (1)
Stoich.:	AB2C2D5E16F18 (1)
Weight, g/mol:	439.207568
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	5.05
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(4-butylcyclohexanecarbonyl)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=CC=CC=C3F

DOS

IR

Vibrations