Geometry & MOs

Info

ID:	30516
PubChem CID:	841440
Reduced:	NSO2C6H9 (2)
Stoich.:	ABC2D6E9 (2)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-141.85
Dipole, Da:	2.75
IP(EA), eV:	-9.57(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-adamantylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations