Geometry & MOs

Info

ID:	441619
PubChem CID:	135237573
Reduced:	PO5N6C29H31 (1)
Stoich.:	AB5C6D29E31 (1)
Weight, g/mol:	515.233268
ΔH_f, kcal/mol:	-141.44
Dipole, Da:	10.18
IP(EA), eV:	-8.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-fluoropyridin-4-yl)-5-[3-(prop-2-enoylamino)phenyl]pyrrolo[2,3-b]pyridin-1-yl]ethyl 2-amino-4-methylpentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations