Geometry & MOs

Info

ID:

427540

PubChem CID:

135159705

Reduced:

BrFOSN3C20H21 (1)

Stoich.:

ABCDE3F20G21 (1)

Weight, g/mol:

469.085402

ΔHf, kcal/mol:

3.22

Dipole, Da:

5.06

IP(EA), eV:

 -8.79(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R,6S)-6-(methylaminosulfanylamino)-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

CC[C@@H]1CC2=C(C(N=C(N2C1)C3=NC=CS3)/C(=C(/C=C(\C)/F)\Br)/C=C)C=O

DOS

IR

Vibrations