Geometry & MOs

Info

ID:

66410

PubChem CID:

46504524

Reduced:

FS2O5N6C30H33 (1)

Stoich.:

AB2C5D6E30F33 (1)

Weight, g/mol:

652.250161

ΔHf, kcal/mol:

-143.68

Dipole, Da:

5.14

IP(EA), eV:

 -8.08(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(N-ethyl-3-methylanilino)propyl]-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)N3CCN(CC3)C4=CC=C(C=C4)F)S(=O)(=O)N5CCN(CC5)C6=CC=CC=C6OC

DOS

IR

Vibrations