Geometry & MOs

Info

ID:	328627
PubChem CID:	126726098
Reduced:	SN3O6H17C25 (1)
Stoich.:	AB3C6D17E25 (1)
Weight, g/mol:	467.148121
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	5.8
IP(EA), eV:	-8.64(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-formyloxy-6-[4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyridin-2-yl]pyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

C1COC2=C(SC=C2O1)/C=C/C3=CC(=NC=C3)C4=NC(=CC(=C4)OC=O)C5=NC=CC(=C5)OC=O

DOS

IR

Vibrations