Geometry & MOs

Info

ID:

66411

PubChem CID:

46504528

Reduced:

S2O5N6C32H40 (1)

Stoich.:

A2B5C6D32E40 (1)

Weight, g/mol:

616.250161

ΔHf, kcal/mol:

-120.3

Dipole, Da:

6.21

IP(EA), eV:

 -8.04(-1.37)

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-[3-(4-methylpiperidin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CCN(CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC(=C5)C

DOS

IR

Vibrations