Geometry & MOs

Info

ID:	308755
PubChem CID:	126522451
Reduced:	FSN6H13C22 (1)
Stoich.:	ABC6D13E22 (1)
Weight, g/mol:	498.264234
ΔH_f, kcal/mol:	177.72
Dipole, Da:	7.17
IP(EA), eV:	-8.88(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[2-(dimethylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-fluorophenyl]pyrrolo[2,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations