Geometry & MOs

Info

ID:

67277

PubChem CID:

46506189

Reduced:

S2N4O7C25H32 (1)

Stoich.:

A2B4C7D25E32 (1)

Weight, g/mol:

573.207962

ΔHf, kcal/mol:

-227.46

Dipole, Da:

7.33

IP(EA), eV:

 -8.26(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-[2-[4-(2-methoxyphenyl)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)NC4=CC(=C(C(=C4)OC)OC)OC)C)C

DOS

IR

Vibrations