Geometry & MOs

Info

ID:	277708
PubChem CID:	103830495
Reduced:	BrSN2O4C11H15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	344.01604
ΔH_f, kcal/mol:	-152.17
Dipole, Da:	7.49
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNC(=O)C1=CC(=C(C=C1)Br)O

DOS

IR

Vibrations