Geometry & MOs

Info

ID:	133069
PubChem CID:	51472854
Reduced:	SO2N5C24H39 (1)
Stoich.:	AB2C5D24E39 (1)
Weight, g/mol:	394.129732
ΔH_f, kcal/mol:	-98.41
Dipole, Da:	3.97
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclohexyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NN=C3N2C4CCCCC4C(=O)N3CCC(C)C

DOS

IR

Vibrations