Geometry & MOs

Info

ID:	305974
PubChem CID:	124976950
Reduced:	S2N3O4C12H21 (1)
Stoich.:	A2B3C4D12E21 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-156.71
Dipole, Da:	8.73
IP(EA), eV:	-9.74(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC[C@H](C1)CC2=C(C=NN2)S(=O)(=O)C

DOS

IR

Vibrations