Geometry & MOs

Info

ID:	187920
PubChem CID:	77643281
Reduced:	ClSO2N3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	484.120367
ΔH_f, kcal/mol:	-81.82
Dipole, Da:	1.0
IP(EA), eV:	-8.94(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-(1,1-difluoroethyl)-2-(2,3-dihydroxypropoxy)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)NCC2=C(C=C3C(=N2)NC(=O)CS3)Cl)O

DOS

IR

Vibrations