Geometry & MOs

Info

ID:	187876
PubChem CID:	77637573
Reduced:	ClSN3O5H24C28 (1)
Stoich.:	ABC3D5E24F28 (1)
Weight, g/mol:	538.153363
ΔH_f, kcal/mol:	-75.45
Dipole, Da:	1.82
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[4-[4-[(4-fluoro-2-methylsulfonylphenyl)methylcarbamoyl]-5,6-dioxopyrimidin-2-yl]oxan-4-yl]carbamic acid

Drug info:

PubChemData

Smile

C1C=C(C=CC1(S(=O)(=O)NC2(CC2C3=CC(=CC=C3)NC(=O)C4=CC=CC=N4)C(=O)O)Cl)C5=CC=CC=C5

DOS

IR

Vibrations