Geometry & MOs

Info

ID:	121342
PubChem CID:	50764388
Reduced:	ClSN4O5C24H27 (1)
Stoich.:	ABC4D5E24F27 (1)
Weight, g/mol:	485.105685
ΔH_f, kcal/mol:	-116.7
Dipole, Da:	7.39
IP(EA), eV:	-8.55(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-ethylsulfonyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations