Geometry & MOs

Info

ID:	237289
PubChem CID:	92718093
Reduced:	ClSO2N4H17C22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	443.031825
ΔH_f, kcal/mol:	49.24
Dipole, Da:	2.28
IP(EA), eV:	-9.46(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)NC(=O)CSC3=NN=C(O3)C4=CC=NC=C4

DOS

IR

Vibrations