Geometry & MOs

Info

ID:	235874
PubChem CID:	92710957
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	458.151158
ΔH_f, kcal/mol:	-62.79
Dipole, Da:	6.54
IP(EA), eV:	-9.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methoxyphenyl]-2-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CN=C(O2)C)S(=O)(=O)N[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations