Geometry & MOs

Info

ID:	383237
PubChem CID:	134974857
Reduced:	SN2O11C18H32 (1)
Stoich.:	AB2C11D18E32 (1)
Weight, g/mol:	226.136908
ΔH_f, kcal/mol:	-523.18
Dipole, Da:	3.6
IP(EA), eV:	-9.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-5-methyladamantane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CS)C(=O)NC1C(OC(C(C1O)O)CO)CC2C(C(C(C(C2O)O)O)O)O

DOS

IR

Vibrations