Geometry & MOs

Info

ID:	308279
PubChem CID:	125325616
Reduced:	N2O7C29H32 (1)
Stoich.:	A2B7C29D32 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-180.86
Dipole, Da:	5.44
IP(EA), eV:	-8.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-N-(1H-imidazol-2-yl)-3-methyl-4-oxo-2-phenyl-2,3-dihydrochromene-8-carboxamide

Drug info:

PubChemData

Smile

COC[C@@H]1CC(=O)C(=C(O1)[C@H](CC(=O)N2CCC3=C4C=CC=CC4=N[C@H]3C2)C5=CC(=C(C=C5)OC)OC)O

DOS

IR

Vibrations