Geometry & MOs

Info

ID:	422730
PubChem CID:	135118312
Reduced:	ClN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	326.11611
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	8.01
IP(EA), eV:	-8.92(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)OC2=CC=C(C=C2)Cl)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations