Geometry & MOs

Info

ID:	419486
PubChem CID:	135108269
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	371.162725
ΔH_f, kcal/mol:	8.47
Dipole, Da:	2.99
IP(EA), eV:	-8.96(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C(=O)CC4=CSC=C4

DOS

IR

Vibrations