Geometry & MOs

Info

ID:	53926
PubChem CID:	14718395
Reduced:	NaN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	450.167853
ΔH_f, kcal/mol:	-211.88
Dipole, Da:	12.15
IP(EA), eV:	-8.94(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-oxo-[1,3]dioxolo[4,5-g]chromen-8-yl)methyl 2-[4-[(2-hydroxycyclopentyl)methyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CC[C@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+]

DOS

IR

Vibrations