Geometry & MOs

Info

ID:

66394

PubChem CID:

46504498

Reduced:

S2N5O7C28H31 (1)

Stoich.:

A2B5C7D28E31 (1)

Weight, g/mol:

643.177055

ΔHf, kcal/mol:

-182.49

Dipole, Da:

2.22

IP(EA), eV:

 -8.49(-1.18)

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-(3,4,5-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=C(C=C(C=C3)OC)OC)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations