Geometry & MOs

Info

ID:	61387
PubChem CID:	26708787
Reduced:	ClSO2N3H12C17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	357.033876
ΔH_f, kcal/mol:	24.03
Dipole, Da:	4.73
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](OC2=C1C=C(C=C2)Cl)C(=O)NC3=NN=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations