Geometry & MOs

Info

ID:	26529
PubChem CID:	651356
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	328.088164
ΔH_f, kcal/mol:	-21.0
Dipole, Da:	2.08
IP(EA), eV:	-8.86(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN(CC=C)C(=O)C2=CSN=N2

DOS

IR

Vibrations