Geometry & MOs

Info

ID:

322572

PubChem CID:

126670552

Reduced:

N3O3S7C95H143 (1)

Stoich.:

A3B3C7D95E143 (1)

Weight, g/mol:

279.155847

ΔHf, kcal/mol:

-224.0

Dipole, Da:

4.39

IP(EA), eV:

 -8.13(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCCCCCCCC)CC1=CC=C(S1)C2=NC3=C(C4=C(C(=C3S2)C5=CC=C(S5)C6=C7C(=C(S6)C(C)(C)CC)C(=O)N(C7=O)CCCOCC(CC)CCCC)N=C(S4)C8=CC=C(S8)CC(CCCCCCCCCC)CCCCCCCCCCCC)C9=CC=C(S9)C

DOS

IR

Vibrations