Geometry & MOs

Info

ID:	137117
PubChem CID:	52153611
Reduced:	SN2O5C25H30 (1)
Stoich.:	AB2C5D25E30 (1)
Weight, g/mol:	452.176979
ΔH_f, kcal/mol:	-134.05
Dipole, Da:	3.21
IP(EA), eV:	-8.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-(4-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)[C@@H]2C(=C(C(=O)N2CCN3CCCC3)O)C(=O)C4=CC=CS4)OC

DOS

IR

Vibrations