Geometry & MOs

Info

ID:	147564
PubChem CID:	53787220
Reduced:	SN3O4C28H31 (1)
Stoich.:	AB3C4D28E31 (1)
Weight, g/mol:	416.050064
ΔH_f, kcal/mol:	-76.28
Dipole, Da:	4.58
IP(EA), eV:	-8.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-5-[[2-[(4-methylsulfonylphenyl)methyl]-1,3-benzoxazol-5-yl]methyl]-3H-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=N[C@@H]4CCN(C[C@@H]4C5=CC(=C(C=C53)OC)OC)C

DOS

IR

Vibrations