Geometry & MOs

Info

ID:	420227
PubChem CID:	135111944
Reduced:	ClNO3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-138.13
Dipole, Da:	6.09
IP(EA), eV:	-9.14(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-4-[(2,5-dimethylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC(=CC(=C3)Cl)OC)O

DOS

IR

Vibrations