Geometry & MOs

Info

ID:	299708
PubChem CID:	117688766
Reduced:	F2O2N5C19H21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	422.22418
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	3.0
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[6-[6-amino-5-(difluoromethoxy)pyridin-3-yl]-2-(azetidin-1-yl)pyrimidin-4-yl]-[(2S)-butan-2-yl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F

DOS

IR

Vibrations