Geometry & MOs

Info

ID:	320625
PubChem CID:	126662164
Reduced:	N2C15H22 (2)
Stoich.:	A2B15C22 (2)
Weight, g/mol:	513.103767
ΔH_f, kcal/mol:	21.36
Dipole, Da:	4.53
IP(EA), eV:	-8.79(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-[5-chloro-4-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NCC(=N1)N2CCC(CC2)CCC3=CC=C(C=C3)C4=CCC(CC4)CN5CCCC5

DOS

IR

Vibrations