Geometry & MOs

Info

ID:	237388
PubChem CID:	92719023
Reduced:	BrSF3N3O3H13C18 (1)
Stoich.:	ABC3D3E3F13G18 (1)
Weight, g/mol:	431.03031
ΔH_f, kcal/mol:	-190.2
Dipole, Da:	5.17
IP(EA), eV:	-9.05(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)OC(F)(F)F)SC2=NN=C(O2)C3=CC=CC=C3Br

DOS

IR

Vibrations