Geometry & MOs

Info

ID:	28595
PubChem CID:	828516
Reduced:	ClN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-70.01
Dipole, Da:	1.86
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-[[(2S)-2-phenoxypropanoyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2Cl

DOS

IR

Vibrations