Geometry & MOs

Info

ID:	444008
PubChem CID:	135260979
Reduced:	FSO4N5C27H28 (1)
Stoich.:	ABC4D5E27F28 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-106.39
Dipole, Da:	4.49
IP(EA), eV:	-8.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(dimethylamino)-3-[4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)C[C@@H](C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)N)F

DOS

IR

Vibrations