Geometry & MOs

Info

ID:	350145
PubChem CID:	127277223
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	4.64
IP(EA), eV:	-8.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)N(C)C3CC3

DOS

IR

Vibrations