Geometry & MOs

Info

ID:	149040
PubChem CID:	53788711
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	421.1849
ΔH_f, kcal/mol:	-183.91
Dipole, Da:	2.47
IP(EA), eV:	-8.79(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R)-3,4-dihydroxy-5-[[hydroxy-(4-oxo-1H-pyrazol-5-ylidene)methyl]amino]oxolan-2-yl]methyl adamantane-1-carboxylate

Drug info:

PubChemData

Smile

CCCN1C[C@@H](C[C@H]2C1CCC(C2)OC(=O)C3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations