Geometry & MOs

Info

ID:	53287
PubChem CID:	14710101
Reduced:	ClO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	326.058883
ΔH_f, kcal/mol:	-155.43
Dipole, Da:	3.69
IP(EA), eV:	-9.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,4-dichloro-2-(2-methylpropyl)-5-oxo-1H-pyrrol-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@](C1CCC1)(C2=CC=CC=C2)C(=O)OC)Cl

DOS

IR

Vibrations