Geometry & MOs

Info

ID:	325936
PubChem CID:	126685661
Reduced:	NO4C9H12 (2)
Stoich.:	AB4C9D12 (2)
Weight, g/mol:	376.188589
ΔH_f, kcal/mol:	-266.9
Dipole, Da:	6.44
IP(EA), eV:	-10.38(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutyl (4S)-2-hydroxy-4-phenyl-3,4-dihydropyran-2,6-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CC(C[C@](C1N)(C(=O)OCC)O)C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations