Geometry & MOs

Info

ID:	217054
PubChem CID:	85087168
Reduced:	SN3O3H13C16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	327.168188
ΔH_f, kcal/mol:	11.82
Dipole, Da:	7.91
IP(EA), eV:	-8.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-adamantylamino)-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CNNC(=O)C2=NSC3=CC=CC=C32)C=CC1=O

DOS

IR

Vibrations