Geometry & MOs

Info

ID:	157354
PubChem CID:	56423114
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-152.16
Dipole, Da:	6.79
IP(EA), eV:	-8.63(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)CC(=O)N(CC3=CC=CS3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations