Geometry & MOs

Info

ID:

67278

PubChem CID:

46506191

Reduced:

S2N5O5C27H35 (1)

Stoich.:

A2B5C5D27E35 (1)

Weight, g/mol:

561.187975

ΔHf, kcal/mol:

-149.55

Dipole, Da:

4.51

IP(EA), eV:

 -9.11(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=C5OC)C)C

DOS

IR

Vibrations