Geometry & MOs

Info

ID:	386017
PubChem CID:	134980541
Reduced:	NO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	370.141638
ΔH_f, kcal/mol:	-218.21
Dipole, Da:	4.44
IP(EA), eV:	-9.77(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4aR,8aS)-5-methoxy-4,7-dioxo-2-phenyl-8,8a-dihydrochromene-4a-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CC=C[C@H]([C@@H]1C(=O)OC)N2[C@@H](COC2=O)C3=CC=CC=C3

DOS

IR

Vibrations