Geometry & MOs

Info

ID:	61022
PubChem CID:	26704413
Reduced:	ClNO2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	421.012175
ΔH_f, kcal/mol:	-51.44
Dipole, Da:	1.11
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-chloro-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)[C@H]3CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations