Geometry & MOs

Info

ID:	328625
PubChem CID:	126726085
Reduced:	NSO5H11C12 (1)
Stoich.:	ABC5D11E12 (1)
Weight, g/mol:	451.153206
ΔH_f, kcal/mol:	-160.2
Dipole, Da:	2.39
IP(EA), eV:	-9.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]pyridin-2-yl]-4-formyloxypyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)SCC(=O)C(=O)NCC(=O)O

DOS

IR

Vibrations