Geometry & MOs

Info

ID:

66409

PubChem CID:

46504523

Reduced:

S2N5O5C27H35 (1)

Stoich.:

A2B5C5D27E35 (1)

Weight, g/mol:

640.193789

ΔHf, kcal/mol:

-152.48

Dipole, Da:

1.81

IP(EA), eV:

 -7.95(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC)C

DOS

IR

Vibrations