Geometry & MOs

Info

ID:	156489
PubChem CID:	56370819
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	-133.54
Dipole, Da:	5.74
IP(EA), eV:	-8.51(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(acetamidomethyl)-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations