Geometry & MOs

Info

ID:

427550

PubChem CID:

135159764

Reduced:

BrFS2N3O4C25H29 (1)

Stoich.:

ABC2D3E4F25G29 (1)

Weight, g/mol:

486.064332

ΔHf, kcal/mol:

-161.75

Dipole, Da:

7.92

IP(EA), eV:

 -8.44(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6-(methanesulfonamido)-1-(1,3-thiazol-2-yl)-3-(2,3,4-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2[C@@H](CCN2C(=N[C@H]1C3=C(C=C(C=C3)F)Br)C4=NC=CS4)C(C)[C@H](C)CS(=O)(=O)C

DOS

IR

Vibrations