Geometry & MOs

Info

ID:	137115
PubChem CID:	52153555
Reduced:	SN2O4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	470.187543
ΔH_f, kcal/mol:	-86.72
Dipole, Da:	19.6
IP(EA), eV:	-7.83(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-methoxy-4-propoxyphenyl)-5-oxo-1-(2-pyrrolidin-1-ium-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)[C@H]2C(=C(C(=O)N2CC[NH+]3CCCC3)[O-])C(=O)C4=CC=CS4

DOS

IR

Vibrations