Geometry & MOs

Info

ID:	29935
PubChem CID:	838315
Reduced:	OSN2H16C20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	347.059422
ΔH_f, kcal/mol:	68.4
Dipole, Da:	5.83
IP(EA), eV:	-8.33(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-chloroacetyl)amino]-5-(2-ethoxy-2-oxoethyl)-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C/2\C(=NN(C2=O)C3=CC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations