Geometry & MOs

Info

ID:	441647
PubChem CID:	135238427
Reduced:	SN3O7C18H27 (1)
Stoich.:	AB3C7D18E27 (1)
Weight, g/mol:	373.133888
ΔH_f, kcal/mol:	-254.29
Dipole, Da:	4.05
IP(EA), eV:	-9.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(2-fluoropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-yl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CN([C@@H]1CC2(CCN(CC2)C(=O)ON3C(=O)CCC3=O)OC1)S(=O)(=O)CC4CC4

DOS

IR

Vibrations