Geometry & MOs

Info

ID:	65620
PubChem CID:	46386684
Reduced:	ClFON5H25C26 (1)
Stoich.:	ABCD5E25F26 (1)
Weight, g/mol:	471.209282
ΔH_f, kcal/mol:	-4.26
Dipole, Da:	5.36
IP(EA), eV:	-8.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-7-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCC3=C(C=C(C=C3)F)Cl)N4CCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations