Geometry & MOs

Info

ID:

80312

PubChem CID:

49834012

Reduced:

ClS2F3O3N6C29H32 (1)

Stoich.:

AB2C3D3E6F29G32 (1)

Weight, g/mol:

628.044044

ΔHf, kcal/mol:

-180.69

Dipole, Da:

3.64

IP(EA), eV:

 -8.67(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1)C2=NC(=CC(=N2)C3=CC=C(C=C3)C(F)(F)F)CNC(=O)[C@@H]4C=CCN4S(=O)(=O)C5=CC=C(S5)Cl

DOS

IR

Vibrations