Geometry & MOs

Info

ID:	349768
PubChem CID:	127276160
Reduced:	SN2O4C12H22 (1)
Stoich.:	AB2C4D12E22 (1)
Weight, g/mol:	354.230728
ΔH_f, kcal/mol:	-197.31
Dipole, Da:	2.66
IP(EA), eV:	-9.28(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantylamino)phenyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)C2CCCOC2

DOS

IR

Vibrations