Geometry & MOs

Info

ID:	194287
PubChem CID:	78510657
Reduced:	ClO7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	405.124609
ΔH_f, kcal/mol:	-217.66
Dipole, Da:	4.41
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations