Geometry & MOs

Info

ID:	329310
PubChem CID:	126734479
Reduced:	ClOSN7C19H26 (1)
Stoich.:	ABCD7E19F26 (1)
Weight, g/mol:	416.199445
ΔH_f, kcal/mol:	22.44
Dipole, Da:	2.79
IP(EA), eV:	-8.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperazin-1-yl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=NC(=NC2=C1SCC2)N3CCN(CC3)C4=NN=C(C=C4)Cl

DOS

IR

Vibrations