Geometry & MOs

Info

ID:	360814
PubChem CID:	127301459
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-91.2
Dipole, Da:	4.73
IP(EA), eV:	-9.1(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(2-phenylpyrrolidin-1-yl)sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCCC2C3=CC(=CC=C3)OC

DOS

IR

Vibrations