Geometry & MOs

Info

ID:	54709
PubChem CID:	17389139
Reduced:	SN3O3H7C10 (1)
Stoich.:	AB3C3D7E10 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	6.02
IP(EA), eV:	-9.23(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-adamantylamino)-2-methylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN(C2=O)C(=S)N)C(=O)O

DOS

IR

Vibrations