Geometry & MOs

Info

ID:	194341
PubChem CID:	78518332
Reduced:	NSCl2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	6.2
IP(EA), eV:	-9.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-butan-2-ylanilino)-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)OC(C)C(=O)NC(C)C2=C(C=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations