Geometry & MOs

Info

ID:	33059
PubChem CID:	7850507
Reduced:	SN3O3H17C22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	394.048712
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	6.84
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)OCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations