Geometry & MOs

Info

ID:	419645
PubChem CID:	135108619
Reduced:	ClNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	328.156912
ΔH_f, kcal/mol:	-138.06
Dipole, Da:	2.98
IP(EA), eV:	-8.97(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CC=CC=C2Cl)C(=O)O

DOS

IR

Vibrations