Geometry & MOs

Info

ID:	185086
PubChem CID:	77253136
Reduced:	O2F3N7H16C19 (1)
Stoich.:	A2B3C7D16E19 (1)
Weight, g/mol:	548.14567
ΔH_f, kcal/mol:	-137.78
Dipole, Da:	5.71
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]-3-(diethylamino)propane-1-sulfonamide

Drug info:

PubChemData

Smile

C1C(NC(=O)C2=CN=C(N=C21)N)C3=CC=CC=C3C4=NC=C(N=C4OCC(F)(F)F)N

DOS

IR

Vibrations