Geometry & MOs

Info

ID:	237387
PubChem CID:	92719018
Reduced:	N3O6C22H27 (1)
Stoich.:	A3B6C22D27 (1)
Weight, g/mol:	486.98131
ΔH_f, kcal/mol:	-160.71
Dipole, Da:	5.45
IP(EA), eV:	-9.63(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

DOS

IR

Vibrations