Geometry & MOs

Info

ID:	441615
PubChem CID:	135237369
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	588.286032
ΔH_f, kcal/mol:	-71.83
Dipole, Da:	4.21
IP(EA), eV:	-9.07(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-5-methoxyphenyl]-3-(2-fluoropyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2-amino-4-methylpentanoate

Drug info:

PubChemData

Smile

CNC1CC2(C1)CCN(CC2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations