Geometry & MOs

Info

ID:	67623
PubChem CID:	46506835
Reduced:	FSO4N5C33H36 (1)
Stoich.:	ABC4D5E33F36 (1)
Weight, g/mol:	560.92308
ΔH_f, kcal/mol:	-150.63
Dipole, Da:	6.84
IP(EA), eV:	-8.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-[[5-(3-chloro-4-methoxyphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C(=O)NCC6=CC=CC=C6

DOS

IR

Vibrations