Geometry & MOs

Info

ID:

297951

PubChem CID:

117636635

Reduced:

ClS2F3O3N5C21H23 (1)

Stoich.:

AB2C3D3E5F21G23 (1)

Weight, g/mol:

618.146143

ΔHf, kcal/mol:

-223.74

Dipole, Da:

4.24

IP(EA), eV:

 -9.08(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)-4a,7a-dihydrothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=NC3C2C=C(S3)CC(F)(F)F)C(=O)CC4=C(C=C(C=C4)CS(=O)(=O)N)Cl

DOS

IR

Vibrations