Geometry & MOs

Info

ID:	173894
PubChem CID:	75694357
Reduced:	NO9C26H26 (1)
Stoich.:	AB9C26D26 (1)
Weight, g/mol:	496.160756
ΔH_f, kcal/mol:	-285.2
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007736
Charge, e:	-1

Chem-info

IUPAC name:

2-[[7-acetamido-2-(furan-2-yl)-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)[O-])OC1C(C(OC2C1OC(OC2)C3=CC=CO3)OC4=CC=CC5=CC=CC=C54)NC(=O)C

DOS

IR

Vibrations