Geometry & MOs

Info

ID:	123627
PubChem CID:	50856712
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	442.9667
ΔH_f, kcal/mol:	-19.62
Dipole, Da:	10.41
IP(EA), eV:	-8.36(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-4-hydroxy-N-[(Z)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CN1C(C)C)/C=N\NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations