Geometry & MOs

Info

ID:	121344
PubChem CID:	50764407
Reduced:	SN3O5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	525.156971
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	5.19
IP(EA), eV:	-7.93(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-N-[5-ethylsulfonyl-2-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations