Geometry & MOs

Info

ID:	68407
PubChem CID:	46508355
Reduced:	F3O3N6H17C20 (1)
Stoich.:	A3B3C6D17E20 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-161.03
Dipole, Da:	7.82
IP(EA), eV:	-9.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

DOS

IR

Vibrations