Geometry & MOs

Info

ID:	80322
PubChem CID:	49834041
Reduced:	SO2N6C29H34 (1)
Stoich.:	AB2C6D29E34 (1)
Weight, g/mol:	489.23108
ΔH_f, kcal/mol:	29.26
Dipole, Da:	4.72
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCOCC2)CC3=CC4=C(S3)C(=NC(=N4)C5=CC=CC6=C5C=CN=C6)N7CCOCC7

DOS

IR

Vibrations