Geometry & MOs

Info

ID:

67280

PubChem CID:

46506195

Reduced:

S2N5O6C23H33 (1)

Stoich.:

A2B5C6D23E33 (1)

Weight, g/mol:

647.244741

ΔHf, kcal/mol:

-241.64

Dipole, Da:

2.57

IP(EA), eV:

 -9.37(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-3-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CC(CC(C4)C)C

DOS

IR

Vibrations