Geometry & MOs

Info

ID:

81810

PubChem CID:

49855192

Reduced:

S2F3O3N5C17H18 (1)

Stoich.:

A2B3C3D5E17F18 (1)

Weight, g/mol:

459.101052

ΔHf, kcal/mol:

-211.95

Dipole, Da:

3.42

IP(EA), eV:

 -8.94(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-methyl-1-N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2CC[C@H]([C@H]2C(=O)N)O)C3=CSC(=N3)C4(CC4)C(F)(F)F

DOS

IR

Vibrations