Geometry & MOs

Info

ID:	420924
PubChem CID:	135115047
Reduced:	ClN4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	326.141262
ΔH_f, kcal/mol:	45.11
Dipole, Da:	4.19
IP(EA), eV:	-8.99(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NCCCC2=CC=CC=N2)Cl

DOS

IR

Vibrations