Geometry & MOs

Info

ID:	418795
PubChem CID:	135106820
Reduced:	N2F3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	300.125612
ΔH_f, kcal/mol:	-255.04
Dipole, Da:	4.1
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O)C(F)(F)F

DOS

IR

Vibrations