Geometry & MOs

Info

ID:	65450
PubChem CID:	38671677
Reduced:	BrSN3O3H18C22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	428.03717
ΔH_f, kcal/mol:	-29.62
Dipole, Da:	1.52
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-hydroxy-5-methoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)C3=CC4=C(N3)C=CC(=C4)Br)C(=O)C

DOS

IR

Vibrations