Geometry & MOs

Info

ID:	122500
PubChem CID:	50809327
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	380.140593
ΔH_f, kcal/mol:	-13.58
Dipole, Da:	2.96
IP(EA), eV:	-9.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCC3C4=CC(=NO4)C(C)C

DOS

IR

Vibrations