Geometry & MOs

Info

ID:

66393

PubChem CID:

46504497

Reduced:

S2N5O6H31C32 (1)

Stoich.:

A2B5C6D31E32 (1)

Weight, g/mol:

613.166491

ΔHf, kcal/mol:

-108.76

Dipole, Da:

5.4

IP(EA), eV:

 -8.07(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)N5CCN(CC5)C6=CC=CC=C6OC

DOS

IR

Vibrations