Geometry & MOs

Info

ID:	326204
PubChem CID:	126687080
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	362.105815
ΔH_f, kcal/mol:	-102.09
Dipole, Da:	6.25
IP(EA), eV:	-8.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-1,2-dihydropyrimidin-6-yl]amino]piperidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)N2C[C@H]([C@H](C2)CO)CCCC3=CC=CC=C3

DOS

IR

Vibrations