Geometry & MOs

Info

ID:	317973
PubChem CID:	126648120
Reduced:	OSN5C27H33 (1)
Stoich.:	ABC5D27E33 (1)
Weight, g/mol:	471.209282
ΔH_f, kcal/mol:	89.28
Dipole, Da:	7.16
IP(EA), eV:	-7.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[7-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]pyrrolo[2,3-d]pyrimidin-4-yl]pyridin-4-yl]-1,3-dihydroindene-2-carbonitrile

Drug info:

PubChemData

Smile

CS(C)(C)CCOCN1C=CC2=C(N=CN=C21)C3=CC(=NC=C3)C4(CC5=CC=CC=C5C4)CN

DOS

IR

Vibrations