Geometry & MOs

Info

ID:	305841
PubChem CID:	124971399
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-54.49
Dipole, Da:	3.56
IP(EA), eV:	-8.71(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[2-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[(3R)-3-methyl-1-methylsulfonylpiperidin-3-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)N2CCCC[C@@H]2C3=NN=C(O3)C4=CN=CC=C4

DOS

IR

Vibrations