Geometry & MOs

Info

ID:	433312
PubChem CID:	135173449
Reduced:	NF2O4C15H27 (1)
Stoich.:	AB2C4D15E27 (1)
Weight, g/mol:	504.119144
ΔH_f, kcal/mol:	-254.7
Dipole, Da:	2.4
IP(EA), eV:	-9.16(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-[5-(1,2-dihydropyrimidin-6-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide

Drug info:

PubChemData

Smile

CN1CC(C1)OCC(COCCCOC2CC(C2)OC)(F)F

DOS

IR

Vibrations