Geometry & MOs

Info

ID:	27597
PubChem CID:	822475
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-132.75
Dipole, Da:	1.84
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-6-amino-4-(5-tert-butylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2CCCC2

DOS

IR

Vibrations