Geometry & MOs

Info

ID:	54469
PubChem CID:	17388729
Reduced:	SN5O5C17H29 (1)
Stoich.:	AB5C5D17E29 (1)
Weight, g/mol:	257.14495
ΔH_f, kcal/mol:	-176.03
Dipole, Da:	8.97
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

adamantane-1-carboxylic acid;2-aminoethanethiol

Drug info:

PubChemData

Smile

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2.C(CO)NCCO

DOS

IR

Vibrations