Geometry & MOs

Info

ID:	194901
PubChem CID:	78606026
Reduced:	NS2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	6.2
IP(EA), eV:	-8.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)COC(=O)C(=CC2=CC=CS2)C3=CC=CS3

DOS

IR

Vibrations