Geometry & MOs

Info

ID:

66389

PubChem CID:

46504490

Reduced:

O3N6C30H32 (1)

Stoich.:

A3B6C30D32 (1)

Weight, g/mol:

585.207962

ΔHf, kcal/mol:

1.14

Dipole, Da:

3.09

IP(EA), eV:

 -8.11(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5)OC

DOS

IR

Vibrations