Geometry & MOs

Info

ID:	44234
PubChem CID:	10502111
Reduced:	O10C19H30 (1)
Stoich.:	A10B19C30 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-484.01
Dipole, Da:	3.19
IP(EA), eV:	-10.54(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-benzamido-2-[(E)-2-(benzylamino)ethenyl]-6-oxopyran-3-carboxylate

Drug info:

PubChemData

Smile

CCCC(C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations