Geometry & MOs

Info

ID:	140915
PubChem CID:	52783593
Reduced:	BrN4O4H15C18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	454.01981
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	2.47
IP(EA), eV:	-9.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-hydroxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=C(C=C3)Br)O

DOS

IR

Vibrations