Geometry & MOs

Info

ID:

427542

PubChem CID:

135159715

Reduced:

O3N6C18H22 (1)

Stoich.:

A3B6C18D22 (1)

Weight, g/mol:

522.104305

ΔHf, kcal/mol:

-24.08

Dipole, Da:

4.85

IP(EA), eV:

 -8.66(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S,6S)-3-(4-fluoro-2-methylphenyl)-6-[(2-methoxy-2-oxoethyl)sulfonylamino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CN(CCN2C(=NC1)C3=NC=CN3C)CC4=COC=N4

DOS

IR

Vibrations