Geometry & MOs

Info

ID:	43655
PubChem CID:	10321598
Reduced:	BrOSF3N3H9C18 (1)
Stoich.:	ABCD3E3F9G18 (1)
Weight, g/mol:	452.05969
ΔH_f, kcal/mol:	-69.96
Dipole, Da:	5.31
IP(EA), eV:	-9.47(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-hydroxyphenyl)methylamino]-2-oxoethyl]-3-(4-iodophenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=N2)Br)OC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations