Geometry & MOs

Info

ID:	417318
PubChem CID:	135092037
Reduced:	O2N7C19H23 (1)
Stoich.:	A2B7C19D23 (1)
Weight, g/mol:	343.131425
ΔH_f, kcal/mol:	31.66
Dipole, Da:	7.54
IP(EA), eV:	-9.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=C(C=C3)CN4C(=NN=N4)C

DOS

IR

Vibrations