Geometry & MOs

Info

ID:	159515
PubChem CID:	57288305
Reduced:	ClSO2N3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	363.08339
ΔH_f, kcal/mol:	13.33
Dipole, Da:	9.08
IP(EA), eV:	-9.75(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-(hydroxymethyl)phenyl]-4,4-dimethyl-1-(1H-pyrrol-2-yl)pentan-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC2=C(CN(N=N2)Cl)C=C1

DOS

IR

Vibrations