Geometry & MOs

Info

ID:	441639
PubChem CID:	135238166
Reduced:	PN5O5H24C26 (1)
Stoich.:	AB5C5D24E26 (1)
Weight, g/mol:	472.191069
ΔH_f, kcal/mol:	-139.3
Dipole, Da:	6.88
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-fluoropyridin-4-yl)-5-[3-(prop-2-enoylamino)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOP(=O)(O)OC(C)N1C=C(C2=C1N=CC(=C2)C3=CC(=CC=C3)NC(=O)C=C)C4=CC(=NC=C4)C#N

DOS

IR

Vibrations