Geometry & MOs

Info

ID:	337407
PubChem CID:	127257092
Reduced:	SN4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	305.072179
ΔH_f, kcal/mol:	118.61
Dipole, Da:	5.76
IP(EA), eV:	-8.71(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-2-[(3-methylbenzoyl)amino]ethyl] thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC\1=C(C(=N)S/C1=N\NC2=CC=CC=C2)C#N

DOS

IR

Vibrations