Geometry & MOs

Info

ID:	36763
PubChem CID:	8012376
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	298.035831
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	2.87
IP(EA), eV:	-9.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations