Geometry & MOs

Info

ID:	141392
PubChem CID:	52872657
Reduced:	BrON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-12.41
Dipole, Da:	1.27
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)N2CC[C@@H](C2)NC3=CC=CC=C3)Br

DOS

IR

Vibrations