Geometry & MOs

Info

ID:	64643
PubChem CID:	29203742
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	427.141973
ΔH_f, kcal/mol:	-162.3
Dipole, Da:	6.9
IP(EA), eV:	-8.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxobenzo[f]chromen-1-yl)methyl (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C

DOS

IR

Vibrations