Geometry & MOs

Info

ID:	139106
PubChem CID:	52473163
Reduced:	FSN2O6C19H25 (1)
Stoich.:	ABC2D6E19F25 (1)
Weight, g/mol:	418.095575
ΔH_f, kcal/mol:	-287.59
Dipole, Da:	5.44
IP(EA), eV:	-9.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@@H](C1)C(=O)CS(=O)(=O)C)NC(=O)COC2=CC=CC=C2F

DOS

IR

Vibrations