Geometry & MOs

Info

ID:

66407

PubChem CID:

46504520

Reduced:

S2O5N7C29H33 (1)

Stoich.:

A2B5C7D29E33 (1)

Weight, g/mol:

596.187561

ΔHf, kcal/mol:

-87.31

Dipole, Da:

2.62

IP(EA), eV:

 -8.68(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=N4)S(=O)(=O)N5CCN(CC5)C6=CC=CC=C6OC

DOS

IR

Vibrations