Geometry & MOs

Info

ID:	354938
PubChem CID:	127287735
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-9.74
Dipole, Da:	3.21
IP(EA), eV:	-9.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-methylphenyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CCNC(=O)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations