Geometry & MOs

Info

ID:	85108
PubChem CID:	49871824
Reduced:	I2N2O11H30C31 (1)
Stoich.:	A2B2C11D30E31 (1)
Weight, g/mol:	305.083413
ΔH_f, kcal/mol:	-337.54
Dipole, Da:	4.46
IP(EA), eV:	-9.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC12CN(CC(C1=O)(CN(C2)C(=O)C3=CC4=C(C=C3I)OCC(O4)C(=O)OC)C)C(=O)C5=CC6=C(C=C5I)OCC(O6)C(=O)OC

DOS

IR

Vibrations