Geometry & MOs

Info

ID:	328626
PubChem CID:	126726093
Reduced:	N3O4H21C27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	487.083806
ΔH_f, kcal/mol:	-29.23
Dipole, Da:	4.27
IP(EA), eV:	-9.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[4-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]pyridin-2-yl]-4-formyloxypyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)/C=C/C2=CC(=NC=C2)C3=NC(=CC(=C3)OC=O)C4=NC=CC(=C4)OC=O)C

DOS

IR

Vibrations