Geometry & MOs

Info

ID:	137116
PubChem CID:	52153610
Reduced:	SN2O5C25H30 (1)
Stoich.:	AB2C5D25E30 (1)
Weight, g/mol:	470.187543
ΔH_f, kcal/mol:	-126.52
Dipole, Da:	17.3
IP(EA), eV:	-8.05(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)[C@@H]2C(=C(C(=O)N2CC[NH+]3CCCC3)[O-])C(=O)C4=CC=CS4)OC

DOS

IR

Vibrations