Geometry & MOs

Info

ID:	297939
PubChem CID:	117636603
Reduced:	SF3N7H20C22 (1)
Stoich.:	AB3C7D20E22 (1)
Weight, g/mol:	448.184544
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	5.59
IP(EA), eV:	-8.93(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[[6-(2-fluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=C3C=C(SC3=NC=N2)CC(F)(F)F)CC4=NC5=C(C=C4)NC(=C5)C#N

DOS

IR

Vibrations