Geometry & MOs

Info

ID:	32733
PubChem CID:	7847498
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-137.25
Dipole, Da:	4.9
IP(EA), eV:	-9.0(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C)C

DOS

IR

Vibrations