Geometry & MOs

Info

ID:	68748
PubChem CID:	46509026
Reduced:	FNO6H18C21 (1)
Stoich.:	ABC6D18E21 (1)
Weight, g/mol:	484.05686
ΔH_f, kcal/mol:	-236.62
Dipole, Da:	5.31
IP(EA), eV:	-9.48(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)OCC(=O)C3=C(C=CC(=C3)F)OC

DOS

IR

Vibrations