Geometry & MOs

Info

ID:	303232
PubChem CID:	124489389
Reduced:	SN2O4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	273.114713
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	4.98
IP(EA), eV:	-8.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations