Geometry & MOs

Info

ID:	418528
PubChem CID:	135105539
Reduced:	SO2N7C17H25 (1)
Stoich.:	AB2C7D17E25 (1)
Weight, g/mol:	354.097346
ΔH_f, kcal/mol:	15.25
Dipole, Da:	9.08
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(3S,4R)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN2C[C@H]3CN([C@@H](C2)COC3)C(=O)CCN4C(=NN=N4)C

DOS

IR

Vibrations