Geometry & MOs

Info

ID:	441638
PubChem CID:	135238165
Reduced:	O3N7H25C27 (1)
Stoich.:	A3B7C25D27 (1)
Weight, g/mol:	517.151506
ΔH_f, kcal/mol:	32.54
Dipole, Da:	8.6
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-cyanopyridin-4-yl)-5-[3-(prop-2-enoylamino)phenyl]pyrrolo[2,3-b]pyridin-1-yl]ethyl ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC(=O)OCN1C=C(C2=C1N=CC(=C2)C3=CC(=CN=C3)NC(=O)/C=C/CN(C)C)C4=CC(=NC=C4)C#N

DOS

IR

Vibrations