Geometry & MOs

Info

ID:	65635
PubChem CID:	46386699
Reduced:	OSN5C28H31 (1)
Stoich.:	ABC5D28E31 (1)
Weight, g/mol:	445.191403
ΔH_f, kcal/mol:	49.28
Dipole, Da:	4.7
IP(EA), eV:	-8.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-5,6-dimethyl-4-morpholin-4-yl-7-phenylpyrrolo[2,3-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCC3=CC=C(C=C3)SC)N4CCCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations