Geometry & MOs

Info

ID:	306295
PubChem CID:	125003644
Reduced:	FSO2N4C20H27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	345.191323
ΔH_f, kcal/mol:	-97.41
Dipole, Da:	2.55
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CC[C@H](C1)C2=NC(=CC(=C2)NC3=CC(=CC=C3)F)C

DOS

IR

Vibrations