Geometry & MOs

Info

ID:	218290
PubChem CID:	85089133
Reduced:	F2N3O4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	445.105388
ΔH_f, kcal/mol:	-216.27
Dipole, Da:	3.79
IP(EA), eV:	-9.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]azetidine-1-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNC(CC(=O)OC)C2=CC=CC(=C2)C#N)O

DOS

IR

Vibrations