Geometry & MOs

Info

ID:	426507
PubChem CID:	135144551
Reduced:	O3N5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	445.152537
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	5.63
IP(EA), eV:	-8.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydroxypropyl)-2-(3-naphthalen-2-yl-7-oxo-3a,9b-dihydrofuro[2,3-f]chromen-8-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)N)OC2=C(C(=O)NC=C2)OC3=C(C=C(C=C3)N)N

DOS

IR

Vibrations