Geometry & MOs

Info

ID:	423632
PubChem CID:	135119877
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	338.141262
ΔH_f, kcal/mol:	-85.92
Dipole, Da:	5.21
IP(EA), eV:	-9.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations