Geometry & MOs

Info

ID:	194433
PubChem CID:	78535248
Reduced:	ClO5H19C23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	395.119129
ΔH_f, kcal/mol:	-130.13
Dipole, Da:	3.6
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

DOS

IR

Vibrations