Geometry & MOs

Info

ID:

299197

PubChem CID:

117677572

Reduced:

N3C26H41 (1)

Stoich.:

A3B26C41 (1)

Weight, g/mol:

483.194026

ΔHf, kcal/mol:

-15.5

Dipole, Da:

1.22

IP(EA), eV:

 -8.05(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-6-[[(3aS,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]amino]-5-(3H-1,3-benzothiazol-2-ylidene)-2-(cyclobutylamino)pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCC(CC2)C3=CC(=C(C=C3)N)C4=CCC(CC4)(C)C

DOS

IR

Vibrations