Geometry & MOs

Info

ID:	67568
PubChem CID:	46506734
Reduced:	FS2N4O4H23C27 (1)
Stoich.:	AB2C4D4E23F27 (1)
Weight, g/mol:	576.85995
ΔH_f, kcal/mol:	-97.79
Dipole, Da:	7.27
IP(EA), eV:	-8.9(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-[[5-(4-bromophenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C3C(=N2)C4=CC=CC=C4N(S3(=O)=O)CC5=CC(=CC=C5)OC)F

DOS

IR

Vibrations